(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine

C6H11INP — CID 138706186

IUPAC(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C\C=C(/NC)PI
InChIInChI=1S/C6H11INP/c1-3-4-5-6(8-2)9-7/h3-5,8-9H,1-2H3/b4-3-,6-5+
InChIKeyUVHMIOQOMFWKQN-DNVGVPOPSA-N
MW255.04 g/mol
LogP2.65
Rot. Bonds3

About (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine

(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine (PubChem CID 138706186) has the molecular formula C6H11INP and a molecular weight of 255.04 g/mol. Its IUPAC name is (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine
PubChem CID138706186
Molecular FormulaC6H11INP
Molecular Weight255.04 g/mol
Exact Mass254.97
IUPAC Name(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C\C=C(/NC)PI
InChIInChI=1S/C6H11INP/c1-3-4-5-6(8-2)9-7/h3-5,8-9H,1-2H3/b4-3-,6-5+
InChIKeyUVHMIOQOMFWKQN-DNVGVPOPSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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 (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine (CID 138706186) is (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine is C/C=C\C=C(/NC)PI.
What is the InChIKey of (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine?
The InChIKey is UVHMIOQOMFWKQN-DNVGVPOPSA-N. The full InChI is InChI=1S/C6H11INP/c1-3-4-5-6(8-2)9-7/h3-5,8-9H,1-2H3/b4-3-,6-5+.
What are the key properties of (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine?
(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine has a molecular weight of 255.04 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 138706186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).