(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine

C11H24NO3P — CID 101455726

IUPAC(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine
SMILESCCC/C=C(\N(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C11H24NO3P/c1-6-9-10-11(12(4)5)16(13,14-7-2)15-8-3/h10H,6-9H2,1-5H3/b11-10+
InChIKeyWTPVKQWHOOHIRA-ZHACJKMWSA-N
MW249.29 g/mol
LogP3.46
Rot. Bonds8

About (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine

(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine (PubChem CID 101455726) has the molecular formula C11H24NO3P and a molecular weight of 249.29 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine
PubChem CID101455726
Molecular FormulaC11H24NO3P
Molecular Weight249.29 g/mol
Exact Mass249.15
IUPAC Name(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine
SMILESCCC/C=C(\N(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C11H24NO3P/c1-6-9-10-11(12(4)5)16(13,14-7-2)15-8-3/h10H,6-9H2,1-5H3/b11-10+
InChIKeyWTPVKQWHOOHIRA-ZHACJKMWSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
CID 12515128
2-diethoxyphosphorylpent-1-ene
CID 11844671
(E)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphoryl-N,N-dimethylethenamine
CID 24795550
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium
CID 11448041
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
2-diethoxyphosphorylprop-2-enal
CID 10888762
diethyl hydrogen phosphate;non-4-ene
CID 175929703

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine?
The IUPAC name of (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine (CID 101455726) is (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine?
The canonical SMILES for (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine is CCC/C=C(\N(C)C)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine?
The InChIKey is WTPVKQWHOOHIRA-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H24NO3P/c1-6-9-10-11(12(4)5)16(13,14-7-2)15-8-3/h10H,6-9H2,1-5H3/b11-10+.
What are the key properties of (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine?
(E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine has a molecular weight of 249.29 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-N,N-dimethylpent-1-en-1-amine is sourced from PubChem (CID 101455726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).