1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol

C13H27NO2 — CID 114493450

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)12(3,16)8-14-9-13(10-15)6-4-5-7-13/h11,14-16H,4-10H2,1-3H3
InChIKeyAPHZROURFZMFHV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.54
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol

1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 114493450) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
PubChem CID114493450
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)12(3,16)8-14-9-13(10-15)6-4-5-7-13/h11,14-16H,4-10H2,1-3H3
InChIKeyAPHZROURFZMFHV-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
CID 114493748
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115454323
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
CID 103033509
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245582
[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
CID 115243777
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
CID 81412012
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol (CID 114493450) is 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNCC1(CO)CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is APHZROURFZMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)12(3,16)8-14-9-13(10-15)6-4-5-7-13/h11,14-16H,4-10H2,1-3H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol?
1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114493450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).