N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine

C18H31N3 — CID 104748080

IUPACN-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cn1cnc2c1CCCC2)C1CCCCC1
InChIInChI=1S/C18H31N3/c1-2-12-19-17(15-8-4-3-5-9-15)13-21-14-20-16-10-6-7-11-18(16)21/h14-15,17,19H,2-13H2,1H3
InChIKeyXTYJDYFEEDKFIP-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.71
Rot. Bonds6

About N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 104748080) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
PubChem CID104748080
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine
SMILESCCCNC(Cn1cnc2c1CCCC2)C1CCCCC1
InChIInChI=1S/C18H31N3/c1-2-12-19-17(15-8-4-3-5-9-15)13-21-14-20-16-10-6-7-11-18(16)21/h14-15,17,19H,2-13H2,1H3
InChIKeyXTYJDYFEEDKFIP-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
1-[2-cyclopentyl-2-(propylamino)ethyl]azepane-2,7-dione
CID 104747332
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
N-[1-cyclopropyl-2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63912853
1-[2-cyclohexyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747034
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-[2-cyclopentyl-2-(propylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 104747038
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
CID 104746918
N-(1-cyclopentyl-2-indazol-1-ylethyl)propan-1-amine
CID 104747505

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine (CID 104748080) is N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine is CCCNC(Cn1cnc2c1CCCC2)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is XTYJDYFEEDKFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-12-19-17(15-8-4-3-5-9-15)13-21-14-20-16-10-6-7-11-18(16)21/h14-15,17,19H,2-13H2,1H3.
What are the key properties of N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104748080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).