3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine

C19H36NP — CID 88829503

IUPAC3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine
SMILESC=CCN(CC=C)C(=C)C(P)(CCCCC)CCCCC
InChIInChI=1S/C19H36NP/c1-6-10-12-14-19(21,15-13-11-7-2)18(5)20(16-8-3)17-9-4/h8-9H,3-7,10-17,21H2,1-2H3
InChIKeyBOVFYRSJQQKTMD-UHFFFAOYSA-N
MW309.48 g/mol
LogP5.95
Rot. Bonds14

About 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine

3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine (PubChem CID 88829503) has the molecular formula C19H36NP and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine.

Molecular Properties

Compound Name3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine
PubChem CID88829503
Molecular FormulaC19H36NP
Molecular Weight309.48 g/mol
Exact Mass309.26
IUPAC Name3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine
SMILESC=CCN(CC=C)C(=C)C(P)(CCCCC)CCCCC
InChIInChI=1S/C19H36NP/c1-6-10-12-14-19(21,15-13-11-7-2)18(5)20(16-8-3)17-9-4/h8-9H,3-7,10-17,21H2,1-2H3
InChIKeyBOVFYRSJQQKTMD-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.48
LogP ≤ 55.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine?
The IUPAC name of 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine (CID 88829503) is 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine.
What is the SMILES notation for 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine?
The canonical SMILES for 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine is C=CCN(CC=C)C(=C)C(P)(CCCCC)CCCCC.
What is the InChIKey of 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine?
The InChIKey is BOVFYRSJQQKTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36NP/c1-6-10-12-14-19(21,15-13-11-7-2)18(5)20(16-8-3)17-9-4/h8-9H,3-7,10-17,21H2,1-2H3.
What are the key properties of 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine?
3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine has a molecular weight of 309.48 g/mol, XLogP of 5.95, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-3-phosphanyl-N,N-bis(prop-2-enyl)oct-1-en-2-amine is sourced from PubChem (CID 88829503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).