(cyclohexylamino)methanetriol

C7H15NO3 — CID 87845323

IUPAC(cyclohexylamino)methanetriol
SMILESOC(O)(O)NC1CCCCC1
InChIInChI=1S/C7H15NO3/c9-7(10,11)8-6-4-2-1-3-5-6/h6,8-11H,1-5H2
InChIKeyCDOCSNAVIABZEP-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.50
Rot. Bonds2

About (cyclohexylamino)methanetriol

(cyclohexylamino)methanetriol (PubChem CID 87845323) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (cyclohexylamino)methanetriol.

Molecular Properties

Compound Name(cyclohexylamino)methanetriol
PubChem CID87845323
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(cyclohexylamino)methanetriol
SMILESOC(O)(O)NC1CCCCC1
InChIInChI=1S/C7H15NO3/c9-7(10,11)8-6-4-2-1-3-5-6/h6,8-11H,1-5H2
InChIKeyCDOCSNAVIABZEP-UHFFFAOYSA-N
XLogP-0.50
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(trichloromethyl)cyclohexanamine
CID 139668019
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
N-(1,1,2,2,2-pentafluoroethyl)cyclohexanamine
CID 54237781
1-N,1-N',1-N"-tricyclohexyl-2-silylethane-1,1,1-triamine
CID 123392075
2-(cyclohexylamino)propane-2-sulfonic acid
CID 87561842
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
CID 58707395
2-cyclohexyl-2-(cyclopentylamino)propan-1-ol
CID 64758710
1,2-di(cyclononyl)hydrazine
CID 155042261
N-(2,3,3-trimethylbutan-2-yl)cyclopentanamine
CID 58297120
N-cyclohexylhydroxylamine;dihydrochloride
CID 175125547

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)methanetriol?
The IUPAC name of (cyclohexylamino)methanetriol (CID 87845323) is (cyclohexylamino)methanetriol.
What is the SMILES notation for (cyclohexylamino)methanetriol?
The canonical SMILES for (cyclohexylamino)methanetriol is OC(O)(O)NC1CCCCC1.
What is the InChIKey of (cyclohexylamino)methanetriol?
The InChIKey is CDOCSNAVIABZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-7(10,11)8-6-4-2-1-3-5-6/h6,8-11H,1-5H2.
What are the key properties of (cyclohexylamino)methanetriol?
(cyclohexylamino)methanetriol has a molecular weight of 161.20 g/mol, XLogP of -0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)methanetriol is sourced from PubChem (CID 87845323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).