4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine

C18H33N3 — CID 105012509

IUPAC4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(CCC1CCCCC1)NCC
InChIInChI=1S/C18H33N3/c1-3-13-21-14-12-20-18(21)15-17(19-4-2)11-10-16-8-6-5-7-9-16/h12,14,16-17,19H,3-11,13,15H2,1-2H3
InChIKeyFQCUNGOIBIWBFE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.17
Rot. Bonds9

About 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine

4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine (PubChem CID 105012509) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
PubChem CID105012509
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(CCC1CCCCC1)NCC
InChIInChI=1S/C18H33N3/c1-3-13-21-14-12-20-18(21)15-17(19-4-2)11-10-16-8-6-5-7-9-16/h12,14,16-17,19H,3-11,13,15H2,1-2H3
InChIKeyFQCUNGOIBIWBFE-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
[4-cyclopentyl-1-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105322962
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
4-cyclohexyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-2-amine
CID 104997751
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012402
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine (CID 105012509) is 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine is CCCn1ccnc1CC(CCC1CCCCC1)NCC.
What is the InChIKey of 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The InChIKey is FQCUNGOIBIWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-3-13-21-14-12-20-18(21)15-17(19-4-2)11-10-16-8-6-5-7-9-16/h12,14,16-17,19H,3-11,13,15H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine?
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 105012509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).