(1S)-2,3-diaminocyclohexan-1-ol

C6H14N2O — CID 138662284

IUPAC(1S)-2,3-diaminocyclohexan-1-ol
SMILESNC1CCC[C@H](O)C1N
InChIInChI=1S/C6H14N2O/c7-4-2-1-3-5(9)6(4)8/h4-6,9H,1-3,7-8H2/t4?,5-,6?/m0/s1
InChIKeyYDEUDTWDFHWNQN-XRVVJQKQSA-N
MW130.19 g/mol
LogP-0.81
Rot. Bonds

About (1S)-2,3-diaminocyclohexan-1-ol

(1S)-2,3-diaminocyclohexan-1-ol (PubChem CID 138662284) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (1S)-2,3-diaminocyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2,3-diaminocyclohexan-1-ol
PubChem CID138662284
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(1S)-2,3-diaminocyclohexan-1-ol
SMILESNC1CCC[C@H](O)C1N
InChIInChI=1S/C6H14N2O/c7-4-2-1-3-5(9)6(4)8/h4-6,9H,1-3,7-8H2/t4?,5-,6?/m0/s1
InChIKeyYDEUDTWDFHWNQN-XRVVJQKQSA-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

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Related Compounds

cis-(1S,2R)-2-aminocyclopentan-1-ol;hydrochloride
CID 17039404
bis(2-aminocyclopentan-1-ol);dihydrochloride
CID 154776416
cis-(1R,2S)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-aminocyclopentan-1-ol;dihydrochloride
CID 171920852
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651
cis-(1R,2S)-2-aminocyclononan-1-ol
CID 130765109
(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
CID 90137025
trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol
CID 90132841
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
cis-(1R,2S)-cyclopentane-1,2-diamine;dihydrochloride
CID 66730598
platinum;trans-(1R,2R)-cyclopentane-1,2-diamine
CID 87290141
(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
CID 11564961

Frequently Asked Questions

What is the IUPAC name of (1S)-2,3-diaminocyclohexan-1-ol?
The IUPAC name of (1S)-2,3-diaminocyclohexan-1-ol (CID 138662284) is (1S)-2,3-diaminocyclohexan-1-ol.
What is the SMILES notation for (1S)-2,3-diaminocyclohexan-1-ol?
The canonical SMILES for (1S)-2,3-diaminocyclohexan-1-ol is NC1CCC[C@H](O)C1N.
What is the InChIKey of (1S)-2,3-diaminocyclohexan-1-ol?
The InChIKey is YDEUDTWDFHWNQN-XRVVJQKQSA-N. The full InChI is InChI=1S/C6H14N2O/c7-4-2-1-3-5(9)6(4)8/h4-6,9H,1-3,7-8H2/t4?,5-,6?/m0/s1.
What are the key properties of (1S)-2,3-diaminocyclohexan-1-ol?
(1S)-2,3-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 (1S)-2,3-diaminocyclohexan-1-ol is sourced from PubChem (CID 138662284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).