1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine

C17H31N3 — CID 105012316

IUPAC1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(CC1CCCCC1)NCC
InChIInChI=1S/C17H31N3/c1-3-11-20-12-10-19-17(20)14-16(18-4-2)13-15-8-6-5-7-9-15/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyIMQZZBFFBNCLBR-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.78
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine

1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 105012316) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID105012316
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(CC1CCCCC1)NCC
InChIInChI=1S/C17H31N3/c1-3-11-20-12-10-19-17(20)14-16(18-4-2)13-15-8-6-5-7-9-15/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyIMQZZBFFBNCLBR-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
CID 113362140
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012402
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine (CID 105012316) is 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(CC1CCCCC1)NCC.
What is the InChIKey of 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is IMQZZBFFBNCLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-11-20-12-10-19-17(20)14-16(18-4-2)13-15-8-6-5-7-9-15/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine?
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 105012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).