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

C52H90N10O2S — CID 160718956

IUPACN-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
SMILESC.C.CC(C)Cc1ccccn1.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/C9H13N.2C8H12N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO.2CH4/c1-8(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;1-6(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;;/h3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;2*1H4
InChIKeyRSVQEYKAHVEVFA-UHFFFAOYSA-N
MW919.43 g/mol
LogP14.25
Rot. Bonds12

About 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

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 (PubChem CID 160718956) has the molecular formula C52H90N10O2S and a molecular weight of 919.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID160718956
Molecular FormulaC52H90N10O2S
Molecular Weight919.43 g/mol
Exact Mass918.70
IUPAC NameN-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
SMILESC.C.CC(C)Cc1ccccn1.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/C9H13N.2C8H12N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO.2CH4/c1-8(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;1-6(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;;/h3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;2*1H4
InChIKeyRSVQEYKAHVEVFA-UHFFFAOYSA-N
XLogP14.25
TPSA146.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.43
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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;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 with MolForge

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Related Compounds

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
(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
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
2-(2-propoxypropyl)pyridine
CID 121216796
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole
CID 165104210
1-fluoro-2-(2-methylpropyl)benzene;methane;2-methylpropylbenzene;2-(2-methylpropyl)pyridine
CID 162035254
4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole
CID 79454763
cumene;3-cyclopropyl-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;3-methyl-2-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-propan-2-yl-5-propan-2-yloxypyridine;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;5-propan-2-ylpyridin-3-ol;5-propan-2-ylpyrimidine
CID 157367277
2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine
CID 67415336
(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
CID 88538998
cumene;methane;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene
CID 158878620

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)Cc1ccccn1.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;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?
The InChIKey is RSVQEYKAHVEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C8H12N2.C7H10N2.C7H11NS.C6H13NO.C5H11NO.2CH4/c1-8(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;1-6(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;;/h3-6,8H,7H2,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,3H2,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 919.43 g/mol, XLogP of 14.25, 12 rotatable bonds, 0 hydrogen bond donors, and 13 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;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 is sourced from PubChem (CID 160718956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).