N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine

C9H23N2OP — CID 19745761

IUPACN-[amino(propyl)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(N)(=O)CCC
InChIInChI=1S/C9H23N2OP/c1-4-7-11(8-5-2)13(10,12)9-6-3/h4-9H2,1-3H3,(H2,10,12)
InChIKeyPMSRGAPSRHKNMX-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.67
Rot. Bonds7

About N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine

N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine (PubChem CID 19745761) has the molecular formula C9H23N2OP and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[amino(propyl)phosphoryl]-N-propylpropan-1-amine
PubChem CID19745761
Molecular FormulaC9H23N2OP
Molecular Weight206.27 g/mol
Exact Mass206.15
IUPAC NameN-[amino(propyl)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(N)(=O)CCC
InChIInChI=1S/C9H23N2OP/c1-4-7-11(8-5-2)13(10,12)9-6-3/h4-9H2,1-3H3,(H2,10,12)
InChIKeyPMSRGAPSRHKNMX-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine?
The IUPAC name of N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine (CID 19745761) is N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine?
The canonical SMILES for N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine is CCCN(CCC)P(N)(=O)CCC.
What is the InChIKey of N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine?
The InChIKey is PMSRGAPSRHKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2OP/c1-4-7-11(8-5-2)13(10,12)9-6-3/h4-9H2,1-3H3,(H2,10,12).
What are the key properties of N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine?
N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine has a molecular weight of 206.27 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(propyl)phosphoryl]-N-propylpropan-1-amine is sourced from PubChem (CID 19745761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).