3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol

C12H25NO2 — CID 106360920

IUPAC3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCC1CO
InChIInChI=1S/C12H25NO2/c1-3-12(15,4-2)9-13-11-7-5-6-10(11)8-14/h10-11,13-15H,3-9H2,1-2H3
InChIKeyVXFHLUMYWDPKRO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds6

About 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol

3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol (PubChem CID 106360920) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
PubChem CID106360920
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCC1CO
InChIInChI=1S/C12H25NO2/c1-3-12(15,4-2)9-13-11-7-5-6-10(11)8-14/h10-11,13-15H,3-9H2,1-2H3
InChIKeyVXFHLUMYWDPKRO-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
CID 115714750
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
CID 106360580
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methanol
CID 106359409
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
[2-(3,3-diethoxypropylamino)cyclopentyl]methanol
CID 114178624
1-[(2-butylcyclopentyl)amino]-2-methylbutan-2-ol
CID 115718135

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol (CID 106360920) is 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CCCC1CO.
What is the InChIKey of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol?
The InChIKey is VXFHLUMYWDPKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(15,4-2)9-13-11-7-5-6-10(11)8-14/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol?
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol has a molecular weight of 215.34 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-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 106360920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).