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

2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
CID 174795917
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
CID 15306003
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
2-iodo-4-methylcyclohexan-1-amine
CID 163524307
4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
4-methoxy-2-methylcyclohexan-1-amine
CID 147825198
1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-amine
CID 63996480

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).