2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine

C18H30N2 — CID 62615898

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN(Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C18H30N2/c1-14(2)20(12-16-7-5-4-6-8-16)13-17-11-15(3)9-10-18(17)19/h4-8,14-15,17-18H,9-13,19H2,1-3H3
InChIKeyXXPNGFQQQCXTLX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.66
Rot. Bonds5

About 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine

2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine (PubChem CID 62615898) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
PubChem CID62615898
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN(Cc2ccccc2)C(C)C)C1
InChIInChI=1S/C18H30N2/c1-14(2)20(12-16-7-5-4-6-8-16)13-17-11-15(3)9-10-18(17)19/h4-8,14-15,17-18H,9-13,19H2,1-3H3
InChIKeyXXPNGFQQQCXTLX-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62616237
3-[[benzyl(propan-2-yl)amino]methyl]-1-methylpiperidin-4-amine
CID 82171540
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-one
CID 62613344
2-[[benzyl(propan-2-yl)amino]methyl]-N-methylcyclopentan-1-amine
CID 55094082
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 130758158
2-[[benzyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735593
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62616432
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65486260
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine (CID 62615898) is 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)C(CN(Cc2ccccc2)C(C)C)C1.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
The InChIKey is XXPNGFQQQCXTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)20(12-16-7-5-4-6-8-16)13-17-11-15(3)9-10-18(17)19/h4-8,14-15,17-18H,9-13,19H2,1-3H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine?
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62615898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).