(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine

C16H34N3O3P — CID 102043189

IUPAC(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine
SMILESCN(C)P(=O)(N(C)C)N(C)/C=C/CCCCCC1(C)OCCO1
InChIInChI=1S/C16H34N3O3P/c1-16(21-14-15-22-16)12-10-8-7-9-11-13-19(6)23(20,17(2)3)18(4)5/h11,13H,7-10,12,14-15H2,1-6H3/b13-11+
InChIKeyCNKDFNTWRPGTFY-ACCUITESSA-N
MW347.44 g/mol
LogP3.38
Rot. Bonds10

About (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine

(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine (PubChem CID 102043189) has the molecular formula C16H34N3O3P and a molecular weight of 347.44 g/mol. Its IUPAC name is (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine
PubChem CID102043189
Molecular FormulaC16H34N3O3P
Molecular Weight347.44 g/mol
Exact Mass347.23
IUPAC Name(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine
SMILESCN(C)P(=O)(N(C)C)N(C)/C=C/CCCCCC1(C)OCCO1
InChIInChI=1S/C16H34N3O3P/c1-16(21-14-15-22-16)12-10-8-7-9-11-13-19(6)23(20,17(2)3)18(4)5/h11,13H,7-10,12,14-15H2,1-6H3/b13-11+
InChIKeyCNKDFNTWRPGTFY-ACCUITESSA-N
XLogP3.38
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-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

6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
2-methyl-2-[(Z)-10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 59841790
2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 72576196
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
CID 10965102
2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane
CID 10468402
2-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681
2-methyl-2-[2-(2-pent-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
CID 67122228
1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine
CID 135317250
(E)-N-ethyl-N-methyldec-1-en-1-amine
CID 14389662
2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
CID 13109384

Frequently Asked Questions

What is the IUPAC name of (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine?
The IUPAC name of (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine (CID 102043189) is (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine.
What is the SMILES notation for (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine?
The canonical SMILES for (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine is CN(C)P(=O)(N(C)C)N(C)/C=C/CCCCCC1(C)OCCO1.
What is the InChIKey of (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine?
The InChIKey is CNKDFNTWRPGTFY-ACCUITESSA-N. The full InChI is InChI=1S/C16H34N3O3P/c1-16(21-14-15-22-16)12-10-8-7-9-11-13-19(6)23(20,17(2)3)18(4)5/h11,13H,7-10,12,14-15H2,1-6H3/b13-11+.
What are the key properties of (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine?
(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine has a molecular weight of 347.44 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine is sourced from PubChem (CID 102043189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).