(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine

C8H15N2P — CID 135278571

IUPAC(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
SMILES[H]/N=C/C(=C)/C(=C\CCC)NP
InChIInChI=1S/C8H15N2P/c1-3-4-5-8(10-11)7(2)6-9/h5-6,9-10H,2-4,11H2,1H3/b8-5+,9-6+
InChIKeyQCIDCIDMHVPOBI-XVYDYJIPSA-N
MW170.20 g/mol
LogP2.26
Rot. Bonds5

About (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine

(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine (PubChem CID 135278571) has the molecular formula C8H15N2P and a molecular weight of 170.20 g/mol. Its IUPAC name is (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
PubChem CID135278571
Molecular FormulaC8H15N2P
Molecular Weight170.20 g/mol
Exact Mass170.10
IUPAC Name(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
SMILES[H]/N=C/C(=C)/C(=C\CCC)NP
InChIInChI=1S/C8H15N2P/c1-3-4-5-8(10-11)7(2)6-9/h5-6,9-10H,2-4,11H2,1H3/b8-5+,9-6+
InChIKeyQCIDCIDMHVPOBI-XVYDYJIPSA-N
XLogP2.26
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine?
The IUPAC name of (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine (CID 135278571) is (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine is [H]/N=C/C(=C)/C(=C\CCC)NP.
What is the InChIKey of (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine?
The InChIKey is QCIDCIDMHVPOBI-XVYDYJIPSA-N. The full InChI is InChI=1S/C8H15N2P/c1-3-4-5-8(10-11)7(2)6-9/h5-6,9-10H,2-4,11H2,1H3/b8-5+,9-6+.
What are the key properties of (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine?
(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine has a molecular weight of 170.20 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine is sourced from PubChem (CID 135278571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).