trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol

C12H25NO2 — CID 106115022

IUPACtrans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
SMILESCCCC(CCO)CN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H25NO2/c1-2-4-10(7-8-14)9-13-11-5-3-6-12(11)15/h10-15H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyBHCGDZPZFFVWIF-PQDIPPBSSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds7

About trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol

trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol (PubChem CID 106115022) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
PubChem CID106115022
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametrans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
SMILESCCCC(CCO)CN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H25NO2/c1-2-4-10(7-8-14)9-13-11-5-3-6-12(11)15/h10-15H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyBHCGDZPZFFVWIF-PQDIPPBSSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

2-(2-ethylhexylamino)cyclohexan-1-ol
CID 60714898
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102734063

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol (CID 106115022) is trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol is CCCC(CCO)CN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol?
The InChIKey is BHCGDZPZFFVWIF-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-4-10(7-8-14)9-13-11-5-3-6-12(11)15/h10-15H,2-9H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol?
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol is sourced from PubChem (CID 106115022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).