N,N-dihydroxycyclohexanamine

C6H13NO2 — CID 19748374

IUPACN,N-dihydroxycyclohexanamine
SMILESON(O)C1CCCCC1
InChIInChI=1S/C6H13NO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
InChIKeyDTZDFWJMCQJNQL-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.40
Rot. Bonds1

About N,N-dihydroxycyclohexanamine

N,N-dihydroxycyclohexanamine (PubChem CID 19748374) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N,N-dihydroxycyclohexanamine.

Molecular Properties

Compound NameN,N-dihydroxycyclohexanamine
PubChem CID19748374
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN,N-dihydroxycyclohexanamine
SMILESON(O)C1CCCCC1
InChIInChI=1S/C6H13NO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
InChIKeyDTZDFWJMCQJNQL-UHFFFAOYSA-N
XLogP1.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dihydroxycyclohexanamine 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,N-dihydroxycyclohexanamine?
The IUPAC name of N,N-dihydroxycyclohexanamine (CID 19748374) is N,N-dihydroxycyclohexanamine.
What is the SMILES notation for N,N-dihydroxycyclohexanamine?
The canonical SMILES for N,N-dihydroxycyclohexanamine is ON(O)C1CCCCC1.
What is the InChIKey of N,N-dihydroxycyclohexanamine?
The InChIKey is DTZDFWJMCQJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2.
What are the key properties of N,N-dihydroxycyclohexanamine?
N,N-dihydroxycyclohexanamine has a molecular weight of 131.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxycyclohexanamine is sourced from PubChem (CID 19748374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).