6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine

C14H28N2S — CID 54573847

IUPAC6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine
SMILESC=C(CCCCCN)SC(=C)CCCCCN
InChIInChI=1S/C14H28N2S/c1-13(9-5-3-7-11-15)17-14(2)10-6-4-8-12-16/h1-12,15-16H2
InChIKeyZZEQEPYNQXXBKW-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.79
Rot. Bonds12

About 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine

6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine (PubChem CID 54573847) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine.

Molecular Properties

Compound Name6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine
PubChem CID54573847
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine
SMILESC=C(CCCCCN)SC(=C)CCCCCN
InChIInChI=1S/C14H28N2S/c1-13(9-5-3-7-11-15)17-14(2)10-6-4-8-12-16/h1-12,15-16H2
InChIKeyZZEQEPYNQXXBKW-UHFFFAOYSA-N
XLogP3.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine 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 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine?
The IUPAC name of 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine (CID 54573847) is 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine.
What is the SMILES notation for 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine?
The canonical SMILES for 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine is C=C(CCCCCN)SC(=C)CCCCCN.
What is the InChIKey of 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine?
The InChIKey is ZZEQEPYNQXXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(9-5-3-7-11-15)17-14(2)10-6-4-8-12-16/h1-12,15-16H2.
What are the key properties of 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine?
6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine has a molecular weight of 256.46 g/mol, XLogP of 3.79, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine is sourced from PubChem (CID 54573847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).