1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine

C9H18N2 — CID 89153977

IUPAC1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
SMILESCC1CC=CCC1C(N)CN
InChIInChI=1S/C9H18N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,7-9H,4-6,10-11H2,1H3
InChIKeyPQSHLYPEMYZBEH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.87
Rot. Bonds2

About 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine

1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine (PubChem CID 89153977) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
PubChem CID89153977
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
SMILESCC1CC=CCC1C(N)CN
InChIInChI=1S/C9H18N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,7-9H,4-6,10-11H2,1H3
InChIKeyPQSHLYPEMYZBEH-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.87
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 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine (CID 89153977) is 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine is CC1CC=CCC1C(N)CN.
What is the InChIKey of 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
The InChIKey is PQSHLYPEMYZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,7-9H,4-6,10-11H2,1H3.
What are the key properties of 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohex-3-en-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 89153977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).