3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol

C9H18FNO — CID 106129076

IUPAC3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCCCF)C1
InChIInChI=1S/C9H18FNO/c10-4-1-5-11-7-8-2-3-9(12)6-8/h8-9,11-12H,1-7H2
InChIKeyBDRZVEFSLQVGIY-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.10
Rot. Bonds5

About 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol

3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol (PubChem CID 106129076) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol
PubChem CID106129076
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCCCF)C1
InChIInChI=1S/C9H18FNO/c10-4-1-5-11-7-8-2-3-9(12)6-8/h8-9,11-12H,1-7H2
InChIKeyBDRZVEFSLQVGIY-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.10
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-[(2-Fluoroethylamino)methyl]cyclopentan-1-ol
CID 80693751
2-[(3-Fluoropropylamino)methyl]cyclopentan-1-ol
CID 81107077
1,1,1-Trifluoro-3-pyrrolidin-3-ylpropan-2-ol
CID 84732502
3-[[[3-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
CID 103270732
3-[[[4-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
CID 103271407
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271422
1-Fluoro-1-pyrrolidin-3-ylpropan-2-ol
CID 105429068
3-Fluoro-4-pyrrolidin-3-ylbutan-2-ol
CID 105431679
1-Fluoro-1-piperidin-4-ylpropan-2-ol
CID 105431688
3-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106120786
3-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
CID 106121092
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 106128936

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol (CID 106129076) is 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCCCF)C1.
What is the InChIKey of 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
The InChIKey is BDRZVEFSLQVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-4-1-5-11-7-8-2-3-9(12)6-8/h8-9,11-12H,1-7H2.
What are the key properties of 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol?
3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropropylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).