3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol

C13H25NO2 — CID 103157965

IUPAC3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
SMILESOC(CNCC1CC(O)C1)CC1CCCC1
InChIInChI=1S/C13H25NO2/c15-12-6-11(7-12)8-14-9-13(16)5-10-3-1-2-4-10/h10-16H,1-9H2
InChIKeyUTCAXFFDFRPCIH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.29
Rot. Bonds6

About 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol

3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol (PubChem CID 103157965) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
PubChem CID103157965
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
SMILESOC(CNCC1CC(O)C1)CC1CCCC1
InChIInChI=1S/C13H25NO2/c15-12-6-11(7-12)8-14-9-13(16)5-10-3-1-2-4-10/h10-16H,1-9H2
InChIKeyUTCAXFFDFRPCIH-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
CID 106132055
1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol (CID 103157965) is 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol is OC(CNCC1CC(O)C1)CC1CCCC1.
What is the InChIKey of 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is UTCAXFFDFRPCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-12-6-11(7-12)8-14-9-13(16)5-10-3-1-2-4-10/h10-16H,1-9H2.
What are the key properties of 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol?
3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 103157965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).