N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine

C18H42N3OP — CID 13378730

IUPACN-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C18H42N3OP/c1-7-13-19(14-8-2)23(22,20(15-9-3)16-10-4)21(17-11-5)18-12-6/h7-18H2,1-6H3
InChIKeyWAQPJHNWYPETBC-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.46
Rot. Bonds15

About N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine

N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine (PubChem CID 13378730) has the molecular formula C18H42N3OP and a molecular weight of 347.53 g/mol. Its IUPAC name is N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine
PubChem CID13378730
Molecular FormulaC18H42N3OP
Molecular Weight347.53 g/mol
Exact Mass347.31
IUPAC NameN-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C18H42N3OP/c1-7-13-19(14-8-2)23(22,20(15-9-3)16-10-4)21(17-11-5)18-12-6/h7-18H2,1-6H3
InChIKeyWAQPJHNWYPETBC-UHFFFAOYSA-N
XLogP5.46
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine?
The IUPAC name of N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine (CID 13378730) is N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine.
What is the SMILES notation for N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine?
The canonical SMILES for N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine is CCCN(CCC)P(=O)(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine?
The InChIKey is WAQPJHNWYPETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N3OP/c1-7-13-19(14-8-2)23(22,20(15-9-3)16-10-4)21(17-11-5)18-12-6/h7-18H2,1-6H3.
What are the key properties of N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine?
N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine has a molecular weight of 347.53 g/mol, XLogP of 5.46, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(dipropylamino)phosphoryl-N-propylpropan-1-amine is sourced from PubChem (CID 13378730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).