(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-1-iminohex-2-en-2-yl]guanidine
CID 176525862
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
CID 142878696
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
CID 145036953
(Z)-2-bromohept-2-en-1-imine
CID 166655516
(Z)-2-ethylhept-2-en-1-imine
CID 146336575
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
CID 177317779
(5Z)-2-methylidene-6-propylnona-5,8-dien-1-imine
CID 167108317
butan-1-imine;prop-2-enamide
CID 175251221
(E)-2-(carbamoylamino)hex-2-enoic acid
CID 87351470
methanimine;2-methylprop-2-en-1-imine
CID 145055297

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).