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

C9H19NO — CID 100990327

IUPACtrans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol
SMILESCCCNC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-2-6-10-7-8-4-3-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyQBNFJRHVMVALCR-IUCAKERBSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds4

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

trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol (PubChem CID 100990327) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol
PubChem CID100990327
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol
SMILESCCCNC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-2-6-10-7-8-4-3-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyQBNFJRHVMVALCR-IUCAKERBSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Methylamino)methyl]cyclopentan-1-ol
CID 13133888
1-[(Methylamino)methyl]cyclopentanemethanol
CID 25220828
2-(Pyrrolidin-2-yl)cyclopentan-1-ol
CID 79544526
rac-[(3R,4R)-4-propylpyrrolidin-3-yl]methanol
CID 131045249
2-[(Trimethylamino)methyl]cyclopentan-1-ol, iodide
CID 24206901
1-Hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 75433278
trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol
CID 143016265
2-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
CID 65835979
2-[(3,3,3-Trifluoropropylamino)methyl]cyclopentan-1-ol
CID 65836604
2-[(2,2-Difluoroethylamino)methyl]cyclopentan-1-ol
CID 65837627
2-[(2,2,2-Trifluoroethylamino)methyl]cyclopentan-1-ol
CID 65838636
2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
CID 65838653

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol (CID 100990327) is trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol is CCCNC[C@@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol?
The InChIKey is QBNFJRHVMVALCR-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-10-7-8-4-3-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol?
trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 100990327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).