N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine

C24H54N3OP — CID 13378731

IUPACN-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine
SMILESCCCCN(CCCC)P(=O)(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C24H54N3OP/c1-7-13-19-25(20-14-8-2)29(28,26(21-15-9-3)22-16-10-4)27(23-17-11-5)24-18-12-6/h7-24H2,1-6H3
InChIKeyCQKIJHDQEAQSSZ-UHFFFAOYSA-N
MW431.69 g/mol
LogP7.80
Rot. Bonds21

About N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine

N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine (PubChem CID 13378731) has the molecular formula C24H54N3OP and a molecular weight of 431.69 g/mol. Its IUPAC name is N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine
PubChem CID13378731
Molecular FormulaC24H54N3OP
Molecular Weight431.69 g/mol
Exact Mass431.40
IUPAC NameN-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine
SMILESCCCCN(CCCC)P(=O)(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C24H54N3OP/c1-7-13-19-25(20-14-8-2)29(28,26(21-15-9-3)22-16-10-4)27(23-17-11-5)24-18-12-6/h7-24H2,1-6H3
InChIKeyCQKIJHDQEAQSSZ-UHFFFAOYSA-N
XLogP7.80
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.69
LogP ≤ 57.80
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(dibutylamino)phosphoryl-N-butylbutan-1-amine?
The IUPAC name of N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine (CID 13378731) is N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine.
What is the SMILES notation for N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine?
The canonical SMILES for N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine is CCCCN(CCCC)P(=O)(N(CCCC)CCCC)N(CCCC)CCCC.
What is the InChIKey of N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine?
The InChIKey is CQKIJHDQEAQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N3OP/c1-7-13-19-25(20-14-8-2)29(28,26(21-15-9-3)22-16-10-4)27(23-17-11-5)24-18-12-6/h7-24H2,1-6H3.
What are the key properties of N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine?
N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine has a molecular weight of 431.69 g/mol, XLogP of 7.80, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(dibutylamino)phosphoryl-N-butylbutan-1-amine is sourced from PubChem (CID 13378731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).