N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine

C75H135N13O2S — CID 158543762

IUPACN-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
SMILESC.C.C.C.C.C.CC(C)C1(c2ccccn2)CC1.CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1cscn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C11H15N.C9H13N.2C8H12N2.C8H14N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO.6CH4/c1-9(2)11(6-7-11)10-5-3-4-8-12-10;1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)6-8-4-5-9-10(8)3;1-6(2)7-3-8-5-9-4-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3;;;;;;/h3-5,8-9H,6-7H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;6*1H4
InChIKeyHOVTYGJPTUGJJF-UHFFFAOYSA-N
MW1283.06 g/mol
LogP21.18
Rot. Bonds16

About N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine

N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine (PubChem CID 158543762) has the molecular formula C75H135N13O2S and a molecular weight of 1283.06 g/mol. Its IUPAC name is N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound NameN-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
PubChem CID158543762
Molecular FormulaC75H135N13O2S
Molecular Weight1283.06 g/mol
Exact Mass1282.06
IUPAC NameN-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
SMILESC.C.C.C.C.C.CC(C)C1(c2ccccn2)CC1.CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1cscn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C11H15N.C9H13N.2C8H12N2.C8H14N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO.6CH4/c1-9(2)11(6-7-11)10-5-3-4-8-12-10;1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)6-8-4-5-9-10(8)3;1-6(2)7-3-8-5-9-4-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3;;;;;;/h3-5,8-9H,6-7H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;6*1H4
InChIKeyHOVTYGJPTUGJJF-UHFFFAOYSA-N
XLogP21.18
TPSA177.01 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.06
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine with MolForge

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Related Compounds

2-(2,2-Dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine
CID 158750628
2,4-Dimethyl-6-propan-2-ylpyridine;3-ethyl-1-methylpyrazole;5-fluoro-2-propan-2-ylpyridine;methane;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159421158
1-(2-Methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 90786105
2-[3-[5-[4-[2-(4-Pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 123502105
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-benzothiazole
CID 141054336
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-thiazole
CID 141123565
4-[6-pyrazin-2-yl-5-pyridazin-3-yl-3-pyridin-2-yl-4-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-1-(triazin-4-yl)cyclohexa-2,4-dien-1-yl]thiadiazole
CID 141131216
2-[1-(cyclohexen-1-yl)-5-phenyl-4-piperidin-1-yl-2-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-ylcyclohexyl]-1,3-thiazole
CID 141441766
bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157075524
Cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
CID 157122711
Methane;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157150242
2,5-dimethylpyrazine;2,5-dimethylpyrimidine;2,4-dimethyl-1,3-thiazole;N-ethoxyethanimine;5-ethyl-1-methylpyrazole;2-ethylpyridine;4-ethyl-1,3-thiazole;N-methoxyethanimine;1-methoxyethenamine;2-(1-methylcyclopropyl)pyridine;5-methylpyrimidine
CID 157151265

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
The IUPAC name of N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine (CID 158543762) is N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine.
What is the SMILES notation for N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
The canonical SMILES for N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine is C.C.C.C.C.C.CC(C)C1(c2ccccn2)CC1.CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1cscn1.CC(C)c1cncnc1.CCON=CC(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.
What is the InChIKey of N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
The InChIKey is HOVTYGJPTUGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C9H13N.2C8H12N2.C8H14N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO.6CH4/c1-9(2)11(6-7-11)10-5-3-4-8-12-10;1-8(2)7-9-5-3-4-6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)6-8-4-5-9-10(8)3;1-6(2)7-3-8-5-9-4-7;1-6(2)3-7-4-9-5-8-7;1-4-8-7-5-6(2)3;1-5(2)4-6-7-3;;;;;;/h3-5,8-9H,6-7H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;6*1H4.
What are the key properties of N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine has a molecular weight of 1283.06 g/mol, XLogP of 21.18, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 158543762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).