2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine

C13H28N2 — CID 43295431

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CN(C)C1CCCCC1CN
InChIInChI=1S/C13H28N2/c1-4-11(2)10-15(3)13-8-6-5-7-12(13)9-14/h11-13H,4-10,14H2,1-3H3
InChIKeyFNLZPPRANMMSLB-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine

2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine (PubChem CID 43295431) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
PubChem CID43295431
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CN(C)C1CCCCC1CN
InChIInChI=1S/C13H28N2/c1-4-11(2)10-15(3)13-8-6-5-7-12(13)9-14/h11-13H,4-10,14H2,1-3H3
InChIKeyFNLZPPRANMMSLB-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine (CID 43295431) is 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine is CCC(C)CN(C)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine?
The InChIKey is FNLZPPRANMMSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-11(2)10-15(3)13-8-6-5-7-12(13)9-14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 43295431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).