3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine

C14H27N3O — CID 116758319

IUPAC3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1nccn1C)C(C)(CC)OC
InChIInChI=1S/C14H27N3O/c1-6-8-15-12(14(3,7-2)18-5)11-13-16-9-10-17(13)4/h9-10,12,15H,6-8,11H2,1-5H3
InChIKeyPVVSHSVKGWBBBD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds8

About 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine

3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine (PubChem CID 116758319) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
PubChem CID116758319
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1nccn1C)C(C)(CC)OC
InChIInChI=1S/C14H27N3O/c1-6-8-15-12(14(3,7-2)18-5)11-13-16-9-10-17(13)4/h9-10,12,15H,6-8,11H2,1-5H3
InChIKeyPVVSHSVKGWBBBD-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758395
2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 116761341
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79762264

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine (CID 116758319) is 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine is CCCNC(Cc1nccn1C)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The InChIKey is PVVSHSVKGWBBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-8-15-12(14(3,7-2)18-5)11-13-16-9-10-17(13)4/h9-10,12,15H,6-8,11H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 116758319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).