tetradec-7-ene-1,14-diamine

C14H30N2 — CID 91430908

IUPACtetradec-7-ene-1,14-diamine
SMILESNCCCCCCC=CCCCCCCN
InChIInChI=1S/C14H30N2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-2H,3-16H2
InChIKeyGSLLSEJIPJZLCQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.36
Rot. Bonds12

About tetradec-7-ene-1,14-diamine

tetradec-7-ene-1,14-diamine (PubChem CID 91430908) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is tetradec-7-ene-1,14-diamine.

Molecular Properties

Compound Nametetradec-7-ene-1,14-diamine
PubChem CID91430908
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nametetradec-7-ene-1,14-diamine
SMILESNCCCCCCC=CCCCCCCN
InChIInChI=1S/C14H30N2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-2H,3-16H2
InChIKeyGSLLSEJIPJZLCQ-UHFFFAOYSA-N
XLogP3.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradec-7-ene-1,14-diamine?
The IUPAC name of tetradec-7-ene-1,14-diamine (CID 91430908) is tetradec-7-ene-1,14-diamine.
What is the SMILES notation for tetradec-7-ene-1,14-diamine?
The canonical SMILES for tetradec-7-ene-1,14-diamine is NCCCCCCC=CCCCCCCN.
What is the InChIKey of tetradec-7-ene-1,14-diamine?
The InChIKey is GSLLSEJIPJZLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-2H,3-16H2.
What are the key properties of tetradec-7-ene-1,14-diamine?
tetradec-7-ene-1,14-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-7-ene-1,14-diamine is sourced from PubChem (CID 91430908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).