N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine

C14H31N2O2P — CID 67015467

IUPACN-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine
SMILESCCCCCC(N)P(=O)(NC1CCCCC1)OCC
InChIInChI=1S/C14H31N2O2P/c1-3-5-7-12-14(15)19(17,18-4-2)16-13-10-8-6-9-11-13/h13-14H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyDYDFMQGDAJCZLE-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.00
Rot. Bonds9

About N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine

N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine (PubChem CID 67015467) has the molecular formula C14H31N2O2P and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine
PubChem CID67015467
Molecular FormulaC14H31N2O2P
Molecular Weight290.39 g/mol
Exact Mass290.21
IUPAC NameN-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine
SMILESCCCCCC(N)P(=O)(NC1CCCCC1)OCC
InChIInChI=1S/C14H31N2O2P/c1-3-5-7-12-14(15)19(17,18-4-2)16-13-10-8-6-9-11-13/h13-14H,3-12,15H2,1-2H3,(H,16,17)
InChIKeyDYDFMQGDAJCZLE-UHFFFAOYSA-N
XLogP4.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
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-[1-aminohexyl(ethoxy)phosphoryl]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-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine?
The IUPAC name of N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine (CID 67015467) is N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine.
What is the SMILES notation for N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine?
The canonical SMILES for N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine is CCCCCC(N)P(=O)(NC1CCCCC1)OCC.
What is the InChIKey of N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine?
The InChIKey is DYDFMQGDAJCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2O2P/c1-3-5-7-12-14(15)19(17,18-4-2)16-13-10-8-6-9-11-13/h13-14H,3-12,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine?
N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine has a molecular weight of 290.39 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-aminohexyl(ethoxy)phosphoryl]cyclohexanamine is sourced from PubChem (CID 67015467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).