1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

C18H30N2 — CID 63487026

IUPAC1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ccc(C)cc1)C1(CN)CCCC(C)C1
InChIInChI=1S/C18H30N2/c1-4-20(13-17-9-7-15(2)8-10-17)18(14-19)11-5-6-16(3)12-18/h7-10,16H,4-6,11-14,19H2,1-3H3
InChIKeyPFSVRMLJGWSQPN-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.72
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63487026) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID63487026
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ccc(C)cc1)C1(CN)CCCC(C)C1
InChIInChI=1S/C18H30N2/c1-4-20(13-17-9-7-15(2)8-10-17)18(14-19)11-5-6-16(3)12-18/h7-10,16H,4-6,11-14,19H2,1-3H3
InChIKeyPFSVRMLJGWSQPN-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
CID 63485979
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
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,3-dimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 43564069
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448937

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (CID 63487026) is 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is CCN(Cc1ccc(C)cc1)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PFSVRMLJGWSQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(13-17-9-7-15(2)8-10-17)18(14-19)11-5-6-16(3)12-18/h7-10,16H,4-6,11-14,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63487026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).