(2,4-dimethylcyclohexyl)methanamine

C9H19N — CID 22484453

IUPAC(2,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(C)C1
InChIInChI=1S/C9H19N/c1-7-3-4-9(6-10)8(2)5-7/h7-9H,3-6,10H2,1-2H3
InChIKeyAOFFWPABORXTOB-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.02
Rot. Bonds1

About (2,4-dimethylcyclohexyl)methanamine

(2,4-dimethylcyclohexyl)methanamine (PubChem CID 22484453) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylcyclohexyl)methanamine
PubChem CID22484453
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(C)C1
InChIInChI=1S/C9H19N/c1-7-3-4-9(6-10)8(2)5-7/h7-9H,3-6,10H2,1-2H3
InChIKeyAOFFWPABORXTOB-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,4-dimethylcyclohexyl)methanamine (CID 22484453) is (2,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,4-dimethylcyclohexyl)methanamine is CC1CCC(CN)C(C)C1.
What is the InChIKey of (2,4-dimethylcyclohexyl)methanamine?
The InChIKey is AOFFWPABORXTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7-3-4-9(6-10)8(2)5-7/h7-9H,3-6,10H2,1-2H3.
What are the key properties of (2,4-dimethylcyclohexyl)methanamine?
(2,4-dimethylcyclohexyl)methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 22484453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).