1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine

C15H29N3O — CID 103028538

IUPAC1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1nccn1CC)CC(C)(C)OC
InChIInChI=1S/C15H29N3O/c1-6-8-16-13(12-15(3,4)19-5)11-14-17-9-10-18(14)7-2/h9-10,13,16H,6-8,11-12H2,1-5H3
InChIKeyXRPGABUXCSGZAU-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.63
Rot. Bonds9

About 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine

1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103028538) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103028538
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1nccn1CC)CC(C)(C)OC
InChIInChI=1S/C15H29N3O/c1-6-8-16-13(12-15(3,4)19-5)11-14-17-9-10-18(14)7-2/h9-10,13,16H,6-8,11-12H2,1-5H3
InChIKeyXRPGABUXCSGZAU-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719464
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
[4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 103025406
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103028538) is 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1nccn1CC)CC(C)(C)OC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is XRPGABUXCSGZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-8-16-13(12-15(3,4)19-5)11-14-17-9-10-18(14)7-2/h9-10,13,16H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103028538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).