(Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine

C70H112N12O2S — CID 172961472

IUPAC(Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
SMILESCC(C)C1(c2ccccn2)CC1.CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1ccsc1.CC(C)c1cncnc1.CCO/N=C\C(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C11H15N.C9H13N.2C8H12N2.C8H14N2.C8H12S.C7H10N2.C6H13NO.C5H11NO/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;1-7(2)5-8-3-4-9-6-8;1-6(2)7-3-8-5-9-4-7;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;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3/b;;;;;;;7-5-;
InChIKeyUOHIPMYOKXCZKI-QKMMBKAJSA-N
MW1185.81 g/mol
LogP17.97
Rot. Bonds16

About (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine

(Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine (PubChem CID 172961472) has the molecular formula C70H112N12O2S and a molecular weight of 1185.81 g/mol. Its IUPAC name is (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name(Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
PubChem CID172961472
Molecular FormulaC70H112N12O2S
Molecular Weight1185.81 g/mol
Exact Mass1184.88
IUPAC Name(Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine
SMILESCC(C)C1(c2ccccn2)CC1.CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1ccsc1.CC(C)c1cncnc1.CCO/N=C\C(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C11H15N.C9H13N.2C8H12N2.C8H14N2.C8H12S.C7H10N2.C6H13NO.C5H11NO/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;1-7(2)5-8-3-4-9-6-8;1-6(2)7-3-8-5-9-4-7;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;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3/b;;;;;;;7-5-;
InChIKeyUOHIPMYOKXCZKI-QKMMBKAJSA-N
XLogP17.97
TPSA164.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.81
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine with MolForge

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Related Compounds

(Z)-N-ethoxy-2-methylpropan-1-imine;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;5-propan-2-ylpyrimidine
CID 172932436
N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine
CID 158253077
N-ethoxy-2-methylpropan-1-imine;methane;N-methoxy-2-methylpropan-1-imine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;5-propan-2-ylpyrimidine
CID 160718956
5-chloro-2-propan-2-ylpyrimidine;(Z)-N-ethoxy-2-methylpropan-1-imine;N-methoxy-2-methylpropan-1-imine;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole
CID 172949482
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722
2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
CID 174659940
2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine
CID 95476705
2-(furan-2-yl)-1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazole
CID 95559159
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
1-(5-methylpyrazin-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147912
7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 134071686
1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
CID 162035254

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
The IUPAC name of (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine (CID 172961472) is (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine.
What is the SMILES notation for (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
The canonical SMILES for (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine is CC(C)C1(c2ccccn2)CC1.CC(C)Cc1ccccn1.CC(C)Cc1ccnn1C.CC(C)Cc1ccsc1.CC(C)c1cncnc1.CCO/N=C\C(C)C.CON=CC(C)C.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.
What is the InChIKey of (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
The InChIKey is UOHIPMYOKXCZKI-QKMMBKAJSA-N. The full InChI is InChI=1S/C11H15N.C9H13N.2C8H12N2.C8H14N2.C8H12S.C7H10N2.C6H13NO.C5H11NO/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;1-7(2)5-8-3-4-9-6-8;1-6(2)7-3-8-5-9-4-7;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;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3/b;;;;;;;7-5-;.
What are the key properties of (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine?
(Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine has a molecular weight of 1185.81 g/mol, XLogP of 17.97, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-2-methylpropan-1-imine;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;3-(2-methylpropyl)thiophene;2-(1-propan-2-ylcyclopropyl)pyridine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 172961472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).