N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine

C14H33N2OP — CID 170850802

IUPACN-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(CC)N(CCC)CCC
InChIInChI=1S/C14H33N2OP/c1-6-11-15(12-7-2)18(17,10-5)16(13-8-3)14-9-4/h6-14H2,1-5H3
InChIKeyBZZICNDECHICKF-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.44
Rot. Bonds11

About N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine

N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine (PubChem CID 170850802) has the molecular formula C14H33N2OP and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine
PubChem CID170850802
Molecular FormulaC14H33N2OP
Molecular Weight276.40 g/mol
Exact Mass276.23
IUPAC NameN-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(CC)N(CCC)CCC
InChIInChI=1S/C14H33N2OP/c1-6-11-15(12-7-2)18(17,10-5)16(13-8-3)14-9-4/h6-14H2,1-5H3
InChIKeyBZZICNDECHICKF-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.44
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-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine?
The IUPAC name of N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine (CID 170850802) is N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine is CCCN(CCC)P(=O)(CC)N(CCC)CCC.
What is the InChIKey of N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine?
The InChIKey is BZZICNDECHICKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N2OP/c1-6-11-15(12-7-2)18(17,10-5)16(13-8-3)14-9-4/h6-14H2,1-5H3.
What are the key properties of N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine?
N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 4.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)-ethylphosphoryl]-N-propylpropan-1-amine is sourced from PubChem (CID 170850802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).