1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine

C13H28N2 — CID 65384767

IUPAC1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CNC1(CN)CCC(C)CC1C
InChIInChI=1S/C13H28N2/c1-10(2)8-15-13(9-14)6-5-11(3)7-12(13)4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyQWIKPHNECZFYJK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.39
Rot. Bonds4

About 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine

1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 65384767) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID65384767
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CNC1(CN)CCC(C)CC1C
InChIInChI=1S/C13H28N2/c1-10(2)8-15-13(9-14)6-5-11(3)7-12(13)4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyQWIKPHNECZFYJK-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 65384767) is 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine is CC(C)CNC1(CN)CCC(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is QWIKPHNECZFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)8-15-13(9-14)6-5-11(3)7-12(13)4/h10-12,15H,5-9,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine?
1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 65384767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).