N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

C18H33N3 — CID 43498023

IUPACN-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCCC1CCC(C(Cc2ncc[nH]2)NCCC)CC1
InChIInChI=1S/C18H33N3/c1-3-5-6-15-7-9-16(10-8-15)17(19-11-4-2)14-18-20-12-13-21-18/h12-13,15-17,19H,3-11,14H2,1-2H3,(H,20,21)
InChIKeyNCGYNIASYZVUDJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.32
Rot. Bonds9

About N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 43498023) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID43498023
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCCC1CCC(C(Cc2ncc[nH]2)NCCC)CC1
InChIInChI=1S/C18H33N3/c1-3-5-6-15-7-9-16(10-8-15)17(19-11-4-2)14-18-20-12-13-21-18/h12-13,15-17,19H,3-11,14H2,1-2H3,(H,20,21)
InChIKeyNCGYNIASYZVUDJ-UHFFFAOYSA-N
XLogP4.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027
2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole
CID 70555368
4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115649554
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420
N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 43498023) is N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCCCC1CCC(C(Cc2ncc[nH]2)NCCC)CC1.
What is the InChIKey of N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is NCGYNIASYZVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-3-5-6-15-7-9-16(10-8-15)17(19-11-4-2)14-18-20-12-13-21-18/h12-13,15-17,19H,3-11,14H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylcyclohexyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43498023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).