cis-(3R,5S)-3,5-diaminocyclohexan-1-ol

C6H14N2O — CID 5288384

IUPACcis-(3R,5S)-3,5-diaminocyclohexan-1-ol
SMILESN[C@@H]1CC(O)C[C@H](N)C1
InChIInChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6?
InChIKeyORKQZIAHTZABIG-XEAPYIEGSA-N
MW130.19 g/mol
LogP-0.81
Rot. Bonds

About cis-(3R,5S)-3,5-diaminocyclohexan-1-ol

cis-(3R,5S)-3,5-diaminocyclohexan-1-ol (PubChem CID 5288384) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is cis-(3R,5S)-3,5-diaminocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(3R,5S)-3,5-diaminocyclohexan-1-ol
PubChem CID5288384
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Namecis-(3R,5S)-3,5-diaminocyclohexan-1-ol
SMILESN[C@@H]1CC(O)C[C@H](N)C1
InChIInChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6?
InChIKeyORKQZIAHTZABIG-XEAPYIEGSA-N
XLogP-0.81
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(3R,5S)-3,5-diaminocyclohexan-1-ol 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 cis-(3R,5S)-3,5-diaminocyclohexan-1-ol?
The IUPAC name of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol (CID 5288384) is cis-(3R,5S)-3,5-diaminocyclohexan-1-ol.
What is the SMILES notation for cis-(3R,5S)-3,5-diaminocyclohexan-1-ol?
The canonical SMILES for cis-(3R,5S)-3,5-diaminocyclohexan-1-ol is N[C@@H]1CC(O)C[C@H](N)C1.
What is the InChIKey of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol?
The InChIKey is ORKQZIAHTZABIG-XEAPYIEGSA-N. The full InChI is InChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6?.
What are the key properties of cis-(3R,5S)-3,5-diaminocyclohexan-1-ol?
cis-(3R,5S)-3,5-diaminocyclohexan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3,5-diaminocyclohexan-1-ol is sourced from PubChem (CID 5288384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).