4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol

C6H13NO — CID 172990620

IUPAC4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
SMILESN[13CH]1[13CH2][13CH2][13CH](O)[13CH2][13CH2]1
InChIInChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyIMLXLGZJLAOKJN-IDEBNGHGSA-N
MW121.13 g/mol
LogP0.25
Rot. Bonds

About 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol

4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol (PubChem CID 172990620) has the molecular formula C6H13NO and a molecular weight of 121.13 g/mol. Its IUPAC name is 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
PubChem CID172990620
Molecular FormulaC6H13NO
Molecular Weight121.13 g/mol
Exact Mass121.12
IUPAC Name4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
SMILESN[13CH]1[13CH2][13CH2][13CH](O)[13CH2][13CH2]1
InChIInChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyIMLXLGZJLAOKJN-IDEBNGHGSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropanamine;cyclopropanol
CID 67718225
cis-(1S,4R)-4-aminocycloheptan-1-ol
CID 15458399
cyclohexane-1,4-diol
CID 11162
cis-(1R,3S)-3-aminocyclopentan-1-ol;hydrochloride
CID 56845289
cis-(1R,3S)-3-aminocyclopentan-1-ol;dihydrochloride
CID 121471734
3-aminocyclopentan-1-ol;ethane
CID 144981128
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
cyclohexane-1,4-diol;hydrochloride
CID 141062883
(1,2,3-13C3)cyclopropanamine
CID 76972988
1-(4-aminocyclohexyl)piperidin-4-ol;methane
CID 146013506
potassium cyclopropanol
CID 18764435
[4-(4-hydroxycyclohexanecarbonyl)oxyphenyl] 4-aminocyclohexane-1-carboxylate
CID 163578474

Frequently Asked Questions

What is the IUPAC name of 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol?
The IUPAC name of 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol (CID 172990620) is 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol.
What is the SMILES notation for 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol?
The canonical SMILES for 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol is N[13CH]1[13CH2][13CH2][13CH](O)[13CH2][13CH2]1.
What is the InChIKey of 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol?
The InChIKey is IMLXLGZJLAOKJN-IDEBNGHGSA-N. The full InChI is InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol?
4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol has a molecular weight of 121.13 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol is sourced from PubChem (CID 172990620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).