N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine

C17H31N3 — CID 104747255

IUPACN-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cn1ccnc1C(C)C)C1CCCCC1
InChIInChI=1S/C17H31N3/c1-4-10-18-16(15-8-6-5-7-9-15)13-20-12-11-19-17(20)14(2)3/h11-12,14-16,18H,4-10,13H2,1-3H3
InChIKeyJAUIJQYBVNRFAO-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.95
Rot. Bonds7

About N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 104747255) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
PubChem CID104747255
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cn1ccnc1C(C)C)C1CCCCC1
InChIInChI=1S/C17H31N3/c1-4-10-18-16(15-8-6-5-7-9-15)13-20-12-11-19-17(20)14(2)3/h11-12,14-16,18H,4-10,13H2,1-3H3
InChIKeyJAUIJQYBVNRFAO-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63912853
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
CID 104748080
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
N-[1-cyclopentyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 104746081
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
N-(1-cyclohexylpropyl)-1-ethylimidazol-2-amine
CID 62407916
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine (CID 104747255) is N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine is CCCNC(Cn1ccnc1C(C)C)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is JAUIJQYBVNRFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-10-18-16(15-8-6-5-7-9-15)13-20-12-11-19-17(20)14(2)3/h11-12,14-16,18H,4-10,13H2,1-3H3.
What are the key properties of N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104747255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).