1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

C19H32N2 — CID 63487191

IUPAC1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(CN)(N(C)Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C19H32N2/c1-5-17-8-10-19(14-20,11-9-17)21(4)13-18-7-6-15(2)16(3)12-18/h6-7,12,17H,5,8-11,13-14,20H2,1-4H3
InChIKeyVMLXNTRRTSKSLT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.03
Rot. Bonds5

About 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 63487191) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID63487191
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(CN)(N(C)Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C19H32N2/c1-5-17-8-10-19(14-20,11-9-17)21(4)13-18-7-6-15(2)16(3)12-18/h6-7,12,17H,5,8-11,13-14,20H2,1-4H3
InChIKeyVMLXNTRRTSKSLT-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64501769
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62125809
1-(aminomethyl)-N-[(3,5-dimethylphenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 63487165
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63473105
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 60916311
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65089283
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661092

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 63487191) is 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(CN)(N(C)Cc2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is VMLXNTRRTSKSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17-8-10-19(14-20,11-9-17)21(4)13-18-7-6-15(2)16(3)12-18/h6-7,12,17H,5,8-11,13-14,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63487191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).