4-prop-2-enyldec-1-ene-4,5-diamine

C13H26N2 — CID 87577245

IUPAC4-prop-2-enyldec-1-ene-4,5-diamine
SMILESC=CCC(N)(CC=C)C(N)CCCCC
InChIInChI=1S/C13H26N2/c1-4-7-8-9-12(14)13(15,10-5-2)11-6-3/h5-6,12H,2-4,7-11,14-15H2,1H3
InChIKeyVUFXCORJKDHVTQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.74
Rot. Bonds9

About 4-prop-2-enyldec-1-ene-4,5-diamine

4-prop-2-enyldec-1-ene-4,5-diamine (PubChem CID 87577245) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-prop-2-enyldec-1-ene-4,5-diamine.

Molecular Properties

Compound Name4-prop-2-enyldec-1-ene-4,5-diamine
PubChem CID87577245
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-prop-2-enyldec-1-ene-4,5-diamine
SMILESC=CCC(N)(CC=C)C(N)CCCCC
InChIInChI=1S/C13H26N2/c1-4-7-8-9-12(14)13(15,10-5-2)11-6-3/h5-6,12H,2-4,7-11,14-15H2,1H3
InChIKeyVUFXCORJKDHVTQ-UHFFFAOYSA-N
XLogP2.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.74
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 4-prop-2-enyldec-1-ene-4,5-diamine?
The IUPAC name of 4-prop-2-enyldec-1-ene-4,5-diamine (CID 87577245) is 4-prop-2-enyldec-1-ene-4,5-diamine.
What is the SMILES notation for 4-prop-2-enyldec-1-ene-4,5-diamine?
The canonical SMILES for 4-prop-2-enyldec-1-ene-4,5-diamine is C=CCC(N)(CC=C)C(N)CCCCC.
What is the InChIKey of 4-prop-2-enyldec-1-ene-4,5-diamine?
The InChIKey is VUFXCORJKDHVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-8-9-12(14)13(15,10-5-2)11-6-3/h5-6,12H,2-4,7-11,14-15H2,1H3.
What are the key properties of 4-prop-2-enyldec-1-ene-4,5-diamine?
4-prop-2-enyldec-1-ene-4,5-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyldec-1-ene-4,5-diamine is sourced from PubChem (CID 87577245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).