2,2-dimethylcyclohexane-1,4-diamine

C8H18N2 — CID 20547249

IUPAC2,2-dimethylcyclohexane-1,4-diamine
SMILESCC1(C)CC(N)CCC1N
InChIInChI=1S/C8H18N2/c1-8(2)5-6(9)3-4-7(8)10/h6-7H,3-5,9-10H2,1-2H3
InChIKeyOCBCSAVZKCNPMC-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds

About 2,2-dimethylcyclohexane-1,4-diamine

2,2-dimethylcyclohexane-1,4-diamine (PubChem CID 20547249) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,2-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethylcyclohexane-1,4-diamine
PubChem CID20547249
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,2-dimethylcyclohexane-1,4-diamine
SMILESCC1(C)CC(N)CCC1N
InChIInChI=1S/C8H18N2/c1-8(2)5-6(9)3-4-7(8)10/h6-7H,3-5,9-10H2,1-2H3
InChIKeyOCBCSAVZKCNPMC-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 2,2-dimethylcyclohexane-1,4-diamine (CID 20547249) is 2,2-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 2,2-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 2,2-dimethylcyclohexane-1,4-diamine is CC1(C)CC(N)CCC1N.
What is the InChIKey of 2,2-dimethylcyclohexane-1,4-diamine?
The InChIKey is OCBCSAVZKCNPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)5-6(9)3-4-7(8)10/h6-7H,3-5,9-10H2,1-2H3.
What are the key properties of 2,2-dimethylcyclohexane-1,4-diamine?
2,2-dimethylcyclohexane-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 20547249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).