4-methylcyclohexane-1,2-diamine

C7H16N2 — CID 11528701

IUPAC4-methylcyclohexane-1,2-diamine
SMILESCC1CCC(N)C(N)C1
InChIInChI=1S/C7H16N2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4,8-9H2,1H3
InChIKeyKKYGOXSPNXROTG-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds

About 4-methylcyclohexane-1,2-diamine

4-methylcyclohexane-1,2-diamine (PubChem CID 11528701) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-methylcyclohexane-1,2-diamine
PubChem CID11528701
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name4-methylcyclohexane-1,2-diamine
SMILESCC1CCC(N)C(N)C1
InChIInChI=1S/C7H16N2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4,8-9H2,1H3
InChIKeyKKYGOXSPNXROTG-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexane-1,2-diamine?
The IUPAC name of 4-methylcyclohexane-1,2-diamine (CID 11528701) is 4-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-methylcyclohexane-1,2-diamine?
The canonical SMILES for 4-methylcyclohexane-1,2-diamine is CC1CCC(N)C(N)C1.
What is the InChIKey of 4-methylcyclohexane-1,2-diamine?
The InChIKey is KKYGOXSPNXROTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-2-3-6(8)7(9)4-5/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 4-methylcyclohexane-1,2-diamine?
4-methylcyclohexane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 11528701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).