(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine

C13H28N3O3P — CID 134934646

IUPAC(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine
SMILESCN(C)P(=O)(N/C=C\CCC1COC(C)(C)O1)N(C)C
InChIInChI=1S/C13H28N3O3P/c1-13(2)18-11-12(19-13)9-7-8-10-14-20(17,15(3)4)16(5)6/h8,10,12H,7,9,11H2,1-6H3,(H,14,17)/b10-8-
InChIKeyAPYWHASCSNWXPG-NTMALXAHSA-N
MW305.36 g/mol
LogP2.25
Rot. Bonds7

About (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine

(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine (PubChem CID 134934646) has the molecular formula C13H28N3O3P and a molecular weight of 305.36 g/mol. Its IUPAC name is (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine
PubChem CID134934646
Molecular FormulaC13H28N3O3P
Molecular Weight305.36 g/mol
Exact Mass305.19
IUPAC Name(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine
SMILESCN(C)P(=O)(N/C=C\CCC1COC(C)(C)O1)N(C)C
InChIInChI=1S/C13H28N3O3P/c1-13(2)18-11-12(19-13)9-7-8-10-14-20(17,15(3)4)16(5)6/h8,10,12H,7,9,11H2,1-6H3,(H,14,17)/b10-8-
InChIKeyAPYWHASCSNWXPG-NTMALXAHSA-N
XLogP2.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine?
The IUPAC name of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine (CID 134934646) is (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine.
What is the SMILES notation for (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine?
The canonical SMILES for (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine is CN(C)P(=O)(N/C=C\CCC1COC(C)(C)O1)N(C)C.
What is the InChIKey of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine?
The InChIKey is APYWHASCSNWXPG-NTMALXAHSA-N. The full InChI is InChI=1S/C13H28N3O3P/c1-13(2)18-11-12(19-13)9-7-8-10-14-20(17,15(3)4)16(5)6/h8,10,12H,7,9,11H2,1-6H3,(H,14,17)/b10-8-.
What are the key properties of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine?
(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine has a molecular weight of 305.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-1-en-1-amine is sourced from PubChem (CID 134934646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).