1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine

C19H32N2 — CID 63486852

IUPAC1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1cc(C)ccc1C)C1(CN)CCCCC1
InChIInChI=1S/C19H32N2/c1-4-12-21(19(15-20)10-6-5-7-11-19)14-18-13-16(2)8-9-17(18)3/h8-9,13H,4-7,10-12,14-15,20H2,1-3H3
InChIKeyRICUPYRWAUEIDI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.18
Rot. Bonds6

About 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine

1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 63486852) 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-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID63486852
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1cc(C)ccc1C)C1(CN)CCCCC1
InChIInChI=1S/C19H32N2/c1-4-12-21(19(15-20)10-6-5-7-11-19)14-18-13-16(2)8-9-17(18)3/h8-9,13H,4-7,10-12,14-15,20H2,1-3H3
InChIKeyRICUPYRWAUEIDI-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
CID 63485979
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
CID 62008128
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
CID 62006003
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine (CID 63486852) is 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine is CCCN(Cc1cc(C)ccc1C)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is RICUPYRWAUEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-12-21(19(15-20)10-6-5-7-11-19)14-18-13-16(2)8-9-17(18)3/h8-9,13H,4-7,10-12,14-15,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine?
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.18, 6 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-propylcyclohexan-1-amine is sourced from PubChem (CID 63486852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).