N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

C18H33N3 — CID 115860125

IUPACN-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCCCC1CCC(C(NCC)c2nccn2CC)CC1
InChIInChI=1S/C18H33N3/c1-4-7-8-15-9-11-16(12-10-15)17(19-5-2)18-20-13-14-21(18)6-3/h13-17,19H,4-12H2,1-3H3
InChIKeyQVPKSUUJPUSQPT-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.55
Rot. Bonds8

About N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 115860125) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID115860125
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCCCC1CCC(C(NCC)c2nccn2CC)CC1
InChIInChI=1S/C18H33N3/c1-4-7-8-15-9-11-16(12-10-15)17(19-5-2)18-20-13-14-21(18)6-3/h13-17,19H,4-12H2,1-3H3
InChIKeyQVPKSUUJPUSQPT-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1-(3-ethylcyclopentyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410037
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
1-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
[(1-ethylimidazol-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233058
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
[(4-butylcyclohexyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]hydrazine
CID 112744361
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine (CID 115860125) is N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine is CCCCC1CCC(C(NCC)c2nccn2CC)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is QVPKSUUJPUSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-7-8-15-9-11-16(12-10-15)17(19-5-2)18-20-13-14-21(18)6-3/h13-17,19H,4-12H2,1-3H3.
What are the key properties of N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)-(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115860125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).