(2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine

C13H24NP — CID 143015574

IUPAC(2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine
SMILESC=C/C(=C\C/C=C\CCCP)CN(C)C
InChIInChI=1S/C13H24NP/c1-4-13(12-14(2)3)10-8-6-5-7-9-11-15/h4-6,10H,1,7-9,11-12,15H2,2-3H3/b6-5-,13-10+
InChIKeySLZZQSXPIZWIJK-UHYAQULISA-N
MW225.32 g/mol
LogP3.26
Rot. Bonds8

About (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine

(2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine (PubChem CID 143015574) has the molecular formula C13H24NP and a molecular weight of 225.32 g/mol. Its IUPAC name is (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine.

Molecular Properties

Compound Name(2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine
PubChem CID143015574
Molecular FormulaC13H24NP
Molecular Weight225.32 g/mol
Exact Mass225.16
IUPAC Name(2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine
SMILESC=C/C(=C\C/C=C\CCCP)CN(C)C
InChIInChI=1S/C13H24NP/c1-4-13(12-14(2)3)10-8-6-5-7-9-11-15/h4-6,10H,1,7-9,11-12,15H2,2-3H3/b6-5-,13-10+
InChIKeySLZZQSXPIZWIJK-UHYAQULISA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine?
The IUPAC name of (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine (CID 143015574) is (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine.
What is the SMILES notation for (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine?
The canonical SMILES for (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine is C=C/C(=C\C/C=C\CCCP)CN(C)C.
What is the InChIKey of (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine?
The InChIKey is SLZZQSXPIZWIJK-UHYAQULISA-N. The full InChI is InChI=1S/C13H24NP/c1-4-13(12-14(2)3)10-8-6-5-7-9-11-15/h4-6,10H,1,7-9,11-12,15H2,2-3H3/b6-5-,13-10+.
What are the key properties of (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine?
(2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine has a molecular weight of 225.32 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-ethenyl-N,N-dimethyl-9-phosphanylnona-2,5-dien-1-amine is sourced from PubChem (CID 143015574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).