2,2-dimethylcyclohexan-1-amine

C8H17N — CID 14405857

IUPAC2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1N
InChIInChI=1S/C8H17N/c1-8(2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKeyXVXGXOJNGBLOKR-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds

About 2,2-dimethylcyclohexan-1-amine

2,2-dimethylcyclohexan-1-amine (PubChem CID 14405857) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethylcyclohexan-1-amine
PubChem CID14405857
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1N
InChIInChI=1S/C8H17N/c1-8(2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKeyXVXGXOJNGBLOKR-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isophorone diamine
CID 17857
4-tert-Butylcyclohexylamine
CID 79396
Cyclohexanamine, 3,3,5-trimethyl-
CID 85931
4-(2-Methylpentyl)cyclohexanamine
CID 99093
3,5-Dimethylcyclohexan-1-amine
CID 14675374
2,6-Dimethylcyclohexylamine
CID 110932
2-Ethylcyclohexan-1-amine
CID 544854
2,6-Diethylcyclohexan-1-amine
CID 161299
Cyclohexylamine, 4-nonyl-
CID 3063999
4,4-Dimethylcyclohexan-1-amine
CID 421054
2-Propylcyclohexanamine
CID 14275505
2-Tert-butylcyclohexan-1-amine
CID 520760

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 2,2-dimethylcyclohexan-1-amine (CID 14405857) is 2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1N.
What is the InChIKey of 2,2-dimethylcyclohexan-1-amine?
The InChIKey is XVXGXOJNGBLOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2,2-dimethylcyclohexan-1-amine?
2,2-dimethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 14405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).