3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol

C10H21NO3 — CID 106132055

IUPAC3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCC1CCCC(O)C1
InChIInChI=1S/C10H21NO3/c12-7-10(14)6-11-5-8-2-1-3-9(13)4-8/h8-14H,1-7H2
InChIKeyWITHHDFQFJJYJE-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.52
Rot. Bonds5

About 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol

3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol (PubChem CID 106132055) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
PubChem CID106132055
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCC1CCCC(O)C1
InChIInChI=1S/C10H21NO3/c12-7-10(14)6-11-5-8-2-1-3-9(13)4-8/h8-14H,1-7H2
InChIKeyWITHHDFQFJJYJE-UHFFFAOYSA-N
XLogP-0.52
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
CID 103157965
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
CID 76912799
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132747
3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132403
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxycyclohexyl)methylamino]methyl]propanimidamide
CID 106136353
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol
CID 106132351

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol (CID 106132055) is 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol is OCC(O)CNCC1CCCC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol?
The InChIKey is WITHHDFQFJJYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c12-7-10(14)6-11-5-8-2-1-3-9(13)4-8/h8-14H,1-7H2.
What are the key properties of 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol?
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol has a molecular weight of 203.28 g/mol, XLogP of -0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 106132055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).