2,4-dimethylcyclohexan-1-amine

C8H17N — CID 14675373

IUPAC2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)C(C)C1
InChIInChI=1S/C8H17N/c1-6-3-4-8(9)7(2)5-6/h6-8H,3-5,9H2,1-2H3
InChIKeyHWRRQRKPNKYPBW-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds

About 2,4-dimethylcyclohexan-1-amine

2,4-dimethylcyclohexan-1-amine (PubChem CID 14675373) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethylcyclohexan-1-amine
PubChem CID14675373
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N)C(C)C1
InChIInChI=1S/C8H17N/c1-6-3-4-8(9)7(2)5-6/h6-8H,3-5,9H2,1-2H3
InChIKeyHWRRQRKPNKYPBW-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(4-amino-3-methylcyclohexyl)methane
CID 91555
4-Methylcyclohexylamine
CID 80604
1,3-Cyclohexanediamine, 4-methyl-
CID 117174
1-Cyclohexylethylamine
CID 110733
4-tert-Butylcyclohexylamine
CID 79396
1-Cyclohexylpropan-2-amine
CID 115665
1-Cyclohexylethan-1-amine hydrochloride
CID 214023
2-(Isopropyl)-5-methylcyclohexylamine
CID 89497
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
2-Methylcyclohexylamine
CID 23432
Cyclohexanamine, 3,3,5-trimethyl-
CID 85931

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2,4-dimethylcyclohexan-1-amine (CID 14675373) is 2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2,4-dimethylcyclohexan-1-amine is CC1CCC(N)C(C)C1.
What is the InChIKey of 2,4-dimethylcyclohexan-1-amine?
The InChIKey is HWRRQRKPNKYPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6-3-4-8(9)7(2)5-6/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 2,4-dimethylcyclohexan-1-amine?
2,4-dimethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 14675373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).