N-[butylamino(phenyl)phosphoryl]butan-1-amine

C14H25N2OP — CID 12884898

IUPACN-[butylamino(phenyl)phosphoryl]butan-1-amine
SMILESCCCCNP(=O)(NCCCC)c1ccccc1
InChIInChI=1S/C14H25N2OP/c1-3-5-12-15-18(17,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H2,15,16,17)
InChIKeyBRMUIYABFYRINM-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.28
Rot. Bonds9

About N-[butylamino(phenyl)phosphoryl]butan-1-amine

N-[butylamino(phenyl)phosphoryl]butan-1-amine (PubChem CID 12884898) has the molecular formula C14H25N2OP and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[butylamino(phenyl)phosphoryl]butan-1-amine.

Molecular Properties

Compound NameN-[butylamino(phenyl)phosphoryl]butan-1-amine
PubChem CID12884898
Molecular FormulaC14H25N2OP
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC NameN-[butylamino(phenyl)phosphoryl]butan-1-amine
SMILESCCCCNP(=O)(NCCCC)c1ccccc1
InChIInChI=1S/C14H25N2OP/c1-3-5-12-15-18(17,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H2,15,16,17)
InChIKeyBRMUIYABFYRINM-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[butylamino(phenyl)phosphoryl]butan-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-[butylamino(phenyl)phosphoryl]butan-1-amine?
The IUPAC name of N-[butylamino(phenyl)phosphoryl]butan-1-amine (CID 12884898) is N-[butylamino(phenyl)phosphoryl]butan-1-amine.
What is the SMILES notation for N-[butylamino(phenyl)phosphoryl]butan-1-amine?
The canonical SMILES for N-[butylamino(phenyl)phosphoryl]butan-1-amine is CCCCNP(=O)(NCCCC)c1ccccc1.
What is the InChIKey of N-[butylamino(phenyl)phosphoryl]butan-1-amine?
The InChIKey is BRMUIYABFYRINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2OP/c1-3-5-12-15-18(17,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H2,15,16,17).
What are the key properties of N-[butylamino(phenyl)phosphoryl]butan-1-amine?
N-[butylamino(phenyl)phosphoryl]butan-1-amine has a molecular weight of 268.34 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butylamino(phenyl)phosphoryl]butan-1-amine is sourced from PubChem (CID 12884898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).