4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine

C15H30N2 — CID 134470528

IUPAC4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine
SMILESC=CCCCCC(C)C(NC=C)C(CC)NC
InChIInChI=1S/C15H30N2/c1-6-9-10-11-12-13(4)15(17-8-3)14(7-2)16-5/h6,8,13-17H,1,3,7,9-12H2,2,4-5H3
InChIKeyKJJMTAPQHKDXAW-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.47
Rot. Bonds11

About 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine

4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine (PubChem CID 134470528) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine.

Molecular Properties

Compound Name4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine
PubChem CID134470528
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine
SMILESC=CCCCCC(C)C(NC=C)C(CC)NC
InChIInChI=1S/C15H30N2/c1-6-9-10-11-12-13(4)15(17-8-3)14(7-2)16-5/h6,8,13-17H,1,3,7,9-12H2,2,4-5H3
InChIKeyKJJMTAPQHKDXAW-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.47
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-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine?
The IUPAC name of 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine (CID 134470528) is 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine.
What is the SMILES notation for 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine?
The canonical SMILES for 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine is C=CCCCCC(C)C(NC=C)C(CC)NC.
What is the InChIKey of 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine?
The InChIKey is KJJMTAPQHKDXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-9-10-11-12-13(4)15(17-8-3)14(7-2)16-5/h6,8,13-17H,1,3,7,9-12H2,2,4-5H3.
What are the key properties of 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine?
4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-3-N,5-dimethylundec-10-ene-3,4-diamine is sourced from PubChem (CID 134470528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).