(1R)-4-methylcyclohex-3-ene-1,2-diamine

C7H14N2 — CID 163667843

IUPAC(1R)-4-methylcyclohex-3-ene-1,2-diamine
SMILESCC1=CC(N)[C@H](N)CC1
InChIInChI=1S/C7H14N2/c1-5-2-3-6(8)7(9)4-5/h4,6-7H,2-3,8-9H2,1H3/t6-,7?/m1/s1
InChIKeyIZZOXTIWQLJZCR-ULUSZKPHSA-N
MW126.20 g/mol
LogP0.38
Rot. Bonds

About (1R)-4-methylcyclohex-3-ene-1,2-diamine

(1R)-4-methylcyclohex-3-ene-1,2-diamine (PubChem CID 163667843) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R)-4-methylcyclohex-3-ene-1,2-diamine.

Molecular Properties

Compound Name(1R)-4-methylcyclohex-3-ene-1,2-diamine
PubChem CID163667843
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R)-4-methylcyclohex-3-ene-1,2-diamine
SMILESCC1=CC(N)[C@H](N)CC1
InChIInChI=1S/C7H14N2/c1-5-2-3-6(8)7(9)4-5/h4,6-7H,2-3,8-9H2,1H3/t6-,7?/m1/s1
InChIKeyIZZOXTIWQLJZCR-ULUSZKPHSA-N
XLogP0.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-methylcyclohex-3-ene-1,2-diamine?
The IUPAC name of (1R)-4-methylcyclohex-3-ene-1,2-diamine (CID 163667843) is (1R)-4-methylcyclohex-3-ene-1,2-diamine.
What is the SMILES notation for (1R)-4-methylcyclohex-3-ene-1,2-diamine?
The canonical SMILES for (1R)-4-methylcyclohex-3-ene-1,2-diamine is CC1=CC(N)[C@H](N)CC1.
What is the InChIKey of (1R)-4-methylcyclohex-3-ene-1,2-diamine?
The InChIKey is IZZOXTIWQLJZCR-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-2-3-6(8)7(9)4-5/h4,6-7H,2-3,8-9H2,1H3/t6-,7?/m1/s1.
What are the key properties of (1R)-4-methylcyclohex-3-ene-1,2-diamine?
(1R)-4-methylcyclohex-3-ene-1,2-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methylcyclohex-3-ene-1,2-diamine is sourced from PubChem (CID 163667843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).