2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol

C13H27NO — CID 99826080

IUPAC2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol
SMILESCC(C)(C)CCN[C@H]1CCC[C@H]1CCO
InChIInChI=1S/C13H27NO/c1-13(2,3)8-9-14-12-6-4-5-11(12)7-10-15/h11-12,14-15H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyJZLHZCVQJUITPZ-RYUDHWBXSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol

2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol (PubChem CID 99826080) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol
PubChem CID99826080
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol
SMILESCC(C)(C)CCN[C@H]1CCC[C@H]1CCO
InChIInChI=1S/C13H27NO/c1-13(2,3)8-9-14-12-6-4-5-11(12)7-10-15/h11-12,14-15H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyJZLHZCVQJUITPZ-RYUDHWBXSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methanol
CID 106359409
3-[(2-hexylcyclopentyl)amino]propan-1-ol
CID 115705219
2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962
1-[(2-butylcyclopentyl)amino]-2-methylbutan-2-ol
CID 115718135
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
cis-ethyl (1R,2S)-2-(3,3-dimethylbutylamino)cyclohexane-1-carboxylate
CID 69059566
2-[2-(2-methylbutan-2-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573262
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
CID 106360580
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol?
The IUPAC name of 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol (CID 99826080) is 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol?
The canonical SMILES for 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol is CC(C)(C)CCN[C@H]1CCC[C@H]1CCO.
What is the InChIKey of 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol?
The InChIKey is JZLHZCVQJUITPZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)8-9-14-12-6-4-5-11(12)7-10-15/h11-12,14-15H,4-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol?
2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(3,3-dimethylbutylamino)cyclopentyl]ethanol is sourced from PubChem (CID 99826080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).