2-methylhex-1-ene-1,1,5,5-tetramine

C7H18N4 — CID 157176517

IUPAC2-methylhex-1-ene-1,1,5,5-tetramine
SMILESCC(CCC(C)(N)N)=C(N)N
InChIInChI=1S/C7H18N4/c1-5(6(8)9)3-4-7(2,10)11/h3-4,8-11H2,1-2H3
InChIKeyAOBLPSRFNDOPTE-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.45
Rot. Bonds3

About 2-methylhex-1-ene-1,1,5,5-tetramine

2-methylhex-1-ene-1,1,5,5-tetramine (PubChem CID 157176517) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-methylhex-1-ene-1,1,5,5-tetramine.

Molecular Properties

Compound Name2-methylhex-1-ene-1,1,5,5-tetramine
PubChem CID157176517
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name2-methylhex-1-ene-1,1,5,5-tetramine
SMILESCC(CCC(C)(N)N)=C(N)N
InChIInChI=1S/C7H18N4/c1-5(6(8)9)3-4-7(2,10)11/h3-4,8-11H2,1-2H3
InChIKeyAOBLPSRFNDOPTE-UHFFFAOYSA-N
XLogP-0.45
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylhex-1-ene-1,1,5,5-tetramine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-1-ene-1,1,5,5-tetramine?
The IUPAC name of 2-methylhex-1-ene-1,1,5,5-tetramine (CID 157176517) is 2-methylhex-1-ene-1,1,5,5-tetramine.
What is the SMILES notation for 2-methylhex-1-ene-1,1,5,5-tetramine?
The canonical SMILES for 2-methylhex-1-ene-1,1,5,5-tetramine is CC(CCC(C)(N)N)=C(N)N.
What is the InChIKey of 2-methylhex-1-ene-1,1,5,5-tetramine?
The InChIKey is AOBLPSRFNDOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-5(6(8)9)3-4-7(2,10)11/h3-4,8-11H2,1-2H3.
What are the key properties of 2-methylhex-1-ene-1,1,5,5-tetramine?
2-methylhex-1-ene-1,1,5,5-tetramine has a molecular weight of 158.25 g/mol, XLogP of -0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-1-ene-1,1,5,5-tetramine is sourced from PubChem (CID 157176517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).