N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H31N3 — CID 66164278

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2cncn2C2CC2)CC1
InChIInChI=1S/C18H31N3/c1-4-18(2,3)14-5-7-15(8-6-14)20-12-17-11-19-13-21(17)16-9-10-16/h11,13-16,20H,4-10,12H2,1-3H3
InChIKeyUBXLPJDOSPJCBI-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.30
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 66164278) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID66164278
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2cncn2C2CC2)CC1
InChIInChI=1S/C18H31N3/c1-4-18(2,3)14-5-7-15(8-6-14)20-12-17-11-19-13-21(17)16-9-10-16/h11,13-16,20H,4-10,12H2,1-3H3
InChIKeyUBXLPJDOSPJCBI-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66139617
N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114120632
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117964
1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 66161737
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66162681
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 66164730
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 66164278) is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2cncn2C2CC2)CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is UBXLPJDOSPJCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-18(2,3)14-5-7-15(8-6-14)20-12-17-11-19-13-21(17)16-9-10-16/h11,13-16,20H,4-10,12H2,1-3H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 66164278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).