2-N,4,5-trimethylcyclohexene-1,2-diamine

C9H18N2 — CID 139437268

IUPAC2-N,4,5-trimethylcyclohexene-1,2-diamine
SMILESCNC1=C(N)CC(C)C(C)C1
InChIInChI=1S/C9H18N2/c1-6-4-8(10)9(11-3)5-7(6)2/h6-7,11H,4-5,10H2,1-3H3
InChIKeyPYXPSTIPEAFJBL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.44
Rot. Bonds1

About 2-N,4,5-trimethylcyclohexene-1,2-diamine

2-N,4,5-trimethylcyclohexene-1,2-diamine (PubChem CID 139437268) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-N,4,5-trimethylcyclohexene-1,2-diamine.

Molecular Properties

Compound Name2-N,4,5-trimethylcyclohexene-1,2-diamine
PubChem CID139437268
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-N,4,5-trimethylcyclohexene-1,2-diamine
SMILESCNC1=C(N)CC(C)C(C)C1
InChIInChI=1S/C9H18N2/c1-6-4-8(10)9(11-3)5-7(6)2/h6-7,11H,4-5,10H2,1-3H3
InChIKeyPYXPSTIPEAFJBL-UHFFFAOYSA-N
XLogP1.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,4,5-trimethylcyclohexene-1,2-diamine?
The IUPAC name of 2-N,4,5-trimethylcyclohexene-1,2-diamine (CID 139437268) is 2-N,4,5-trimethylcyclohexene-1,2-diamine.
What is the SMILES notation for 2-N,4,5-trimethylcyclohexene-1,2-diamine?
The canonical SMILES for 2-N,4,5-trimethylcyclohexene-1,2-diamine is CNC1=C(N)CC(C)C(C)C1.
What is the InChIKey of 2-N,4,5-trimethylcyclohexene-1,2-diamine?
The InChIKey is PYXPSTIPEAFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-4-8(10)9(11-3)5-7(6)2/h6-7,11H,4-5,10H2,1-3H3.
What are the key properties of 2-N,4,5-trimethylcyclohexene-1,2-diamine?
2-N,4,5-trimethylcyclohexene-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,5-trimethylcyclohexene-1,2-diamine is sourced from PubChem (CID 139437268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).