4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine

C21H44NP — CID 166922136

IUPAC4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine
SMILESCCC(C)CC(C)(C)C(CC(C)N(C)C(C)C)P(C)C1CCC1
InChIInChI=1S/C21H44NP/c1-10-17(4)15-21(6,7)20(23(9)19-12-11-13-19)14-18(5)22(8)16(2)3/h16-20H,10-15H2,1-9H3
InChIKeyFYGPJTWGKWBKAI-UHFFFAOYSA-N
MW341.56 g/mol
LogP6.60
Rot. Bonds10

About 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine

4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine (PubChem CID 166922136) has the molecular formula C21H44NP and a molecular weight of 341.56 g/mol. Its IUPAC name is 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine.

Molecular Properties

Compound Name4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine
PubChem CID166922136
Molecular FormulaC21H44NP
Molecular Weight341.56 g/mol
Exact Mass341.32
IUPAC Name4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine
SMILESCCC(C)CC(C)(C)C(CC(C)N(C)C(C)C)P(C)C1CCC1
InChIInChI=1S/C21H44NP/c1-10-17(4)15-21(6,7)20(23(9)19-12-11-13-19)14-18(5)22(8)16(2)3/h16-20H,10-15H2,1-9H3
InChIKeyFYGPJTWGKWBKAI-UHFFFAOYSA-N
XLogP6.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.56
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-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 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine?
The IUPAC name of 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine (CID 166922136) is 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine.
What is the SMILES notation for 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine?
The canonical SMILES for 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine is CCC(C)CC(C)(C)C(CC(C)N(C)C(C)C)P(C)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine?
The InChIKey is FYGPJTWGKWBKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44NP/c1-10-17(4)15-21(6,7)20(23(9)19-12-11-13-19)14-18(5)22(8)16(2)3/h16-20H,10-15H2,1-9H3.
What are the key properties of 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine?
4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine has a molecular weight of 341.56 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methyl)phosphanyl]-N,5,5,7-tetramethyl-N-propan-2-ylnonan-2-amine is sourced from PubChem (CID 166922136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).