N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine

C11H25ClNOP — CID 123544248

IUPACN-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine
SMILESCCCOP(Cl)N(C(C)CC)C(C)CC
InChIInChI=1S/C11H25ClNOP/c1-6-9-14-15(12)13(10(4)7-2)11(5)8-3/h10-11H,6-9H2,1-5H3
InChIKeyDTIBYWGASVELSD-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.78
Rot. Bonds8

About N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine

N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine (PubChem CID 123544248) has the molecular formula C11H25ClNOP and a molecular weight of 253.75 g/mol. Its IUPAC name is N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine
PubChem CID123544248
Molecular FormulaC11H25ClNOP
Molecular Weight253.75 g/mol
Exact Mass253.14
IUPAC NameN-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine
SMILESCCCOP(Cl)N(C(C)CC)C(C)CC
InChIInChI=1S/C11H25ClNOP/c1-6-9-14-15(12)13(10(4)7-2)11(5)8-3/h10-11H,6-9H2,1-5H3
InChIKeyDTIBYWGASVELSD-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-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-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine?
The IUPAC name of N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine (CID 123544248) is N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine.
What is the SMILES notation for N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine?
The canonical SMILES for N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine is CCCOP(Cl)N(C(C)CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine?
The InChIKey is DTIBYWGASVELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClNOP/c1-6-9-14-15(12)13(10(4)7-2)11(5)8-3/h10-11H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine?
N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine has a molecular weight of 253.75 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[chloro(propoxy)phosphanyl]butan-2-amine is sourced from PubChem (CID 123544248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).