1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol

C13H27NO2 — CID 106940111

IUPAC1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
SMILESCCC(C)(N)COCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-3-13(2,14)10-16-9-12(15)8-11-6-4-5-7-11/h11-12,15H,3-10,14H2,1-2H3
InChIKeyKFNVCNDQUZOGGL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds7

About 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol

1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol (PubChem CID 106940111) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
PubChem CID106940111
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
SMILESCCC(C)(N)COCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-3-13(2,14)10-16-9-12(15)8-11-6-4-5-7-11/h11-12,15H,3-10,14H2,1-2H3
InChIKeyKFNVCNDQUZOGGL-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
CID 59949582
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473987
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-(2-amino-2-methylpropyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158869
4-cyclohexyl-1-ethoxybutan-2-ol
CID 115818721
1-cyclohexyl-3-methylpentan-3-amine
CID 67766533

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol (CID 106940111) is 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol is CCC(C)(N)COCC(O)CC1CCCC1.
What is the InChIKey of 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol?
The InChIKey is KFNVCNDQUZOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-13(2,14)10-16-9-12(15)8-11-6-4-5-7-11/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol?
1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 106940111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).