N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine

C28H42NO2P — CID 123211642

IUPACN-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine
SMILESCCCCCOP(OCCCC)N(C1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42NO2P/c1-3-5-16-24-31-32(30-23-6-4-2)29(27-21-14-9-15-22-27)28(25-17-10-7-11-18-25)26-19-12-8-13-20-26/h7-8,10-13,17-20,27-28H,3-6,9,14-16,21-24H2,1-2H3
InChIKeyYTWWVYCFRPZPSW-UHFFFAOYSA-N
MW455.62 g/mol
LogP8.66
Rot. Bonds14

About N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine

N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine (PubChem CID 123211642) has the molecular formula C28H42NO2P and a molecular weight of 455.62 g/mol. Its IUPAC name is N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine.

Molecular Properties

Compound NameN-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine
PubChem CID123211642
Molecular FormulaC28H42NO2P
Molecular Weight455.62 g/mol
Exact Mass455.30
IUPAC NameN-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine
SMILESCCCCCOP(OCCCC)N(C1CCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42NO2P/c1-3-5-16-24-31-32(30-23-6-4-2)29(27-21-14-9-15-22-27)28(25-17-10-7-11-18-25)26-19-12-8-13-20-26/h7-8,10-13,17-20,27-28H,3-6,9,14-16,21-24H2,1-2H3
InChIKeyYTWWVYCFRPZPSW-UHFFFAOYSA-N
XLogP8.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.62
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine 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-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine?
The IUPAC name of N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine (CID 123211642) is N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine.
What is the SMILES notation for N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine?
The canonical SMILES for N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine is CCCCCOP(OCCCC)N(C1CCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine?
The InChIKey is YTWWVYCFRPZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42NO2P/c1-3-5-16-24-31-32(30-23-6-4-2)29(27-21-14-9-15-22-27)28(25-17-10-7-11-18-25)26-19-12-8-13-20-26/h7-8,10-13,17-20,27-28H,3-6,9,14-16,21-24H2,1-2H3.
What are the key properties of N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine?
N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine has a molecular weight of 455.62 g/mol, XLogP of 8.66, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine is sourced from PubChem (CID 123211642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).