trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol

C11H23NO2 — CID 102733190

IUPACtrans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol
SMILESCCCCOCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-2-3-8-14-9-7-12-10-5-4-6-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXJOXCUHVPNPTHR-QWRGUYRKSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds7

About trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol (PubChem CID 102733190) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol
PubChem CID102733190
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol
SMILESCCCCOCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-2-3-8-14-9-7-12-10-5-4-6-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXJOXCUHVPNPTHR-QWRGUYRKSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol
CID 14938219
rac-(1R,2R)-2-(methylamino)cyclopentan-1-ol
CID 15696255
rac-(1R,2R)-2-(tert-butylamino)cyclopentan-1-ol,trans
CID 58959528
rac-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-(Methylamino)cyclopentan-1-ol
CID 21464889
(1S,2R)-2-(Methylamino)cyclopentan-1-ol
CID 15696256
trans-(1R,2R)-2-(propan-2-ylamino)cyclopentan-1-ol
CID 338651
2-(Cyclohexylamino)cyclopentan-1-ol
CID 341192
Cyclopentanol, 2-(butylamino)-, trans-
CID 93317320
N-(5-methyltetrahydro-2-furfuryl)aminoethanol
CID 129875017
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62087142

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol (CID 102733190) is trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol is CCCCOCCN[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol?
The InChIKey is XJOXCUHVPNPTHR-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-8-14-9-7-12-10-5-4-6-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-butoxyethylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).