2,2-dimethylcyclohexane-1,1-diamine

C8H18N2 — CID 22286737

IUPAC2,2-dimethylcyclohexane-1,1-diamine
SMILESCC1(C)CCCCC1(N)N
InChIInChI=1S/C8H18N2/c1-7(2)5-3-4-6-8(7,9)10/h3-6,9-10H2,1-2H3
InChIKeyFXMVYJDUURNRAR-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.20
Rot. Bonds

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

2,2-dimethylcyclohexane-1,1-diamine (PubChem CID 22286737) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,2-dimethylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name2,2-dimethylcyclohexane-1,1-diamine
PubChem CID22286737
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,2-dimethylcyclohexane-1,1-diamine
SMILESCC1(C)CCCCC1(N)N
InChIInChI=1S/C8H18N2/c1-7(2)5-3-4-6-8(7,9)10/h3-6,9-10H2,1-2H3
InChIKeyFXMVYJDUURNRAR-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexane-1,1-diamine?
The IUPAC name of 2,2-dimethylcyclohexane-1,1-diamine (CID 22286737) is 2,2-dimethylcyclohexane-1,1-diamine.
What is the SMILES notation for 2,2-dimethylcyclohexane-1,1-diamine?
The canonical SMILES for 2,2-dimethylcyclohexane-1,1-diamine is CC1(C)CCCCC1(N)N.
What is the InChIKey of 2,2-dimethylcyclohexane-1,1-diamine?
The InChIKey is FXMVYJDUURNRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)5-3-4-6-8(7,9)10/h3-6,9-10H2,1-2H3.
What are the key properties of 2,2-dimethylcyclohexane-1,1-diamine?
2,2-dimethylcyclohexane-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexane-1,1-diamine is sourced from PubChem (CID 22286737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).