1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine

C19H32N2 — CID 107448986

IUPAC1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc(CN(C)C2(CN)CCCC(C(C)C)C2)c1
InChIInChI=1S/C19H32N2/c1-15(2)18-9-6-10-19(12-18,14-20)21(4)13-17-8-5-7-16(3)11-17/h5,7-8,11,15,18H,6,9-10,12-14,20H2,1-4H3
InChIKeyYHFQXQPQKCZYGD-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.97
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448986) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448986
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc(CN(C)C2(CN)CCCC(C(C)C)C2)c1
InChIInChI=1S/C19H32N2/c1-15(2)18-9-6-10-19(12-18,14-20)21(4)13-17-8-5-7-16(3)11-17/h5,7-8,11,15,18H,6,9-10,12-14,20H2,1-4H3
InChIKeyYHFQXQPQKCZYGD-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448937
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
CID 107449072
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449169
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
CID 107449069
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215
4-(aminomethyl)-N,1-dimethyl-N-[(3-methylphenyl)methyl]azepan-4-amine
CID 65075352
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448986) is 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine is Cc1cccc(CN(C)C2(CN)CCCC(C(C)C)C2)c1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is YHFQXQPQKCZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)18-9-6-10-19(12-18,14-20)21(4)13-17-8-5-7-16(3)11-17/h5,7-8,11,15,18H,6,9-10,12-14,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).