1-aminophosphanylhexa-1,4-diene

C6H12NP — CID 57082730

IUPAC1-aminophosphanylhexa-1,4-diene
SMILESCC=CCC=CPN
InChIInChI=1S/C6H12NP/c1-2-3-4-5-6-8-7/h2-3,5-6,8H,4,7H2,1H3
InChIKeyATBOUPJJZPMYCQ-UHFFFAOYSA-N
MW129.14 g/mol
LogP2.02
Rot. Bonds3

About 1-aminophosphanylhexa-1,4-diene

1-aminophosphanylhexa-1,4-diene (PubChem CID 57082730) has the molecular formula C6H12NP and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-aminophosphanylhexa-1,4-diene.

Molecular Properties

Compound Name1-aminophosphanylhexa-1,4-diene
PubChem CID57082730
Molecular FormulaC6H12NP
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-aminophosphanylhexa-1,4-diene
SMILESCC=CCC=CPN
InChIInChI=1S/C6H12NP/c1-2-3-4-5-6-8-7/h2-3,5-6,8H,4,7H2,1H3
InChIKeyATBOUPJJZPMYCQ-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylallylchlorophosphine
CID 129806085
[(E)-hex-4-enyl]phosphane
CID 164665361
[(E)-pent-3-en-2-yl]phosphane
CID 21507943
[(E)-pent-3-enyl]phosphane
CID 58843299
Pent-3-enylphosphane
CID 72441147
3,6-dihydro-2H-phosphinin-1-amine
CID 85961373
[(E)-pent-2-enyl]phosphane
CID 88550640
[(E)-hex-2-enyl]phosphane
CID 88550946
[(Z)-hept-3-en-2-yl]phosphane
CID 89001922
[(E)-pent-3-en-2-ylidene]phosphane
CID 89175753
Pent-3-en-2-ylphosphane
CID 91170639
Pent-2-enylphosphane
CID 91599481

Frequently Asked Questions

What is the IUPAC name of 1-aminophosphanylhexa-1,4-diene?
The IUPAC name of 1-aminophosphanylhexa-1,4-diene (CID 57082730) is 1-aminophosphanylhexa-1,4-diene.
What is the SMILES notation for 1-aminophosphanylhexa-1,4-diene?
The canonical SMILES for 1-aminophosphanylhexa-1,4-diene is CC=CCC=CPN.
What is the InChIKey of 1-aminophosphanylhexa-1,4-diene?
The InChIKey is ATBOUPJJZPMYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NP/c1-2-3-4-5-6-8-7/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 1-aminophosphanylhexa-1,4-diene?
1-aminophosphanylhexa-1,4-diene has a molecular weight of 129.14 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminophosphanylhexa-1,4-diene is sourced from PubChem (CID 57082730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).