1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine

C19H32N2 — CID 63485979

IUPAC1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
SMILESCCN(Cc1cc(C)ccc1C)C1(CN)CCCC(C)C1
InChIInChI=1S/C19H32N2/c1-5-21(13-18-11-15(2)8-9-17(18)4)19(14-20)10-6-7-16(3)12-19/h8-9,11,16H,5-7,10,12-14,20H2,1-4H3
InChIKeyVWMBCEYQKYIBPJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.03
Rot. Bonds5

About 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine

1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine (PubChem CID 63485979) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
PubChem CID63485979
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
SMILESCCN(Cc1cc(C)ccc1C)C1(CN)CCCC(C)C1
InChIInChI=1S/C19H32N2/c1-5-21(13-18-11-15(2)8-9-17(18)4)19(14-20)10-6-7-16(3)12-19/h8-9,11,16H,5-7,10,12-14,20H2,1-4H3
InChIKeyVWMBCEYQKYIBPJ-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)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 63486852
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine (CID 63485979) is 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine is CCN(Cc1cc(C)ccc1C)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine?
The InChIKey is VWMBCEYQKYIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(13-18-11-15(2)8-9-17(18)4)19(14-20)10-6-7-16(3)12-19/h8-9,11,16H,5-7,10,12-14,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-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-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63485979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).