N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine

C8H20N3OP — CID 584619

IUPACN-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C8H20N3OP/c1-7-8-11(6)13(12,9(2)3)10(4)5/h7H,1,8H2,2-6H3
InChIKeyGXCSCLQPRKVSNS-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.34
Rot. Bonds5

About N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine

N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine (PubChem CID 584619) has the molecular formula C8H20N3OP and a molecular weight of 205.24 g/mol. Its IUPAC name is N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine
PubChem CID584619
Molecular FormulaC8H20N3OP
Molecular Weight205.24 g/mol
Exact Mass205.13
IUPAC NameN-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C8H20N3OP/c1-7-8-11(6)13(12,9(2)3)10(4)5/h7H,1,8H2,2-6H3
InChIKeyGXCSCLQPRKVSNS-UHFFFAOYSA-N
XLogP1.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine (CID 584619) is N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine is C=CCN(C)P(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine?
The InChIKey is GXCSCLQPRKVSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N3OP/c1-7-8-11(6)13(12,9(2)3)10(4)5/h7H,1,8H2,2-6H3.
What are the key properties of N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine?
N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine has a molecular weight of 205.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)phosphoryl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 584619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).