N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

C16H36ClN2P — CID 14249300

IUPACN-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCC(Cl)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H36ClN2P/c1-10-11-16(17)20(18(12(2)3)13(4)5)19(14(6)7)15(8)9/h12-16H,10-11H2,1-9H3
InChIKeyFAYYMOKXWNBWGT-UHFFFAOYSA-N
MW322.91 g/mol
LogP5.90
Rot. Bonds9

About N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 14249300) has the molecular formula C16H36ClN2P and a molecular weight of 322.91 g/mol. Its IUPAC name is N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID14249300
Molecular FormulaC16H36ClN2P
Molecular Weight322.91 g/mol
Exact Mass322.23
IUPAC NameN-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCC(Cl)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H36ClN2P/c1-10-11-16(17)20(18(12(2)3)13(4)5)19(14(6)7)15(8)9/h12-16H,10-11H2,1-9H3
InChIKeyFAYYMOKXWNBWGT-UHFFFAOYSA-N
XLogP5.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.91
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-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-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 14249300) is N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is CCCC(Cl)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is FAYYMOKXWNBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36ClN2P/c1-10-11-16(17)20(18(12(2)3)13(4)5)19(14(6)7)15(8)9/h12-16H,10-11H2,1-9H3.
What are the key properties of N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 322.91 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14249300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).