5-(3-fluoropropylamino)-2-methylpentan-1-ol

C9H20FNO — CID 106160045

IUPAC5-(3-fluoropropylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCCCF
InChIInChI=1S/C9H20FNO/c1-9(8-12)4-2-6-11-7-3-5-10/h9,11-12H,2-8H2,1H3
InChIKeyVFLMANOGLMTZNV-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.34
Rot. Bonds8

About 5-(3-fluoropropylamino)-2-methylpentan-1-ol

5-(3-fluoropropylamino)-2-methylpentan-1-ol (PubChem CID 106160045) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 5-(3-fluoropropylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(3-fluoropropylamino)-2-methylpentan-1-ol
PubChem CID106160045
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name5-(3-fluoropropylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCCCF
InChIInChI=1S/C9H20FNO/c1-9(8-12)4-2-6-11-7-3-5-10/h9,11-12H,2-8H2,1H3
InChIKeyVFLMANOGLMTZNV-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.34
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-(3-Methylpiperidin-4-yl)ethan-1-ol
CID 13419581
2-(Piperidin-4-yl)propan-1-ol
CID 22928829
(5-Fluoropiperidin-3-YL)methanol
CID 49761292
[(3R,5R)-5-fluoropiperidin-3-yl]methanol
CID 96532390
5-Amino-2-(fluoromethyl)-4-methylpentan-1-ol
CID 118420590
4,4-Difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol
CID 139357796
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane
CID 142295329
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
CID 142390458
5-(Tert-butylamino)-3,3-difluoropentan-1-ol
CID 153299938
3,3-Difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
CID 155451240
(4,4-Difluoropiperidin-3-yl)methanol;ethane
CID 156750006
[(3R,5R)-3-fluoroazocan-5-yl]methanol
CID 171453828

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(3-fluoropropylamino)-2-methylpentan-1-ol (CID 106160045) is 5-(3-fluoropropylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(3-fluoropropylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(3-fluoropropylamino)-2-methylpentan-1-ol is CC(CO)CCCNCCCF.
What is the InChIKey of 5-(3-fluoropropylamino)-2-methylpentan-1-ol?
The InChIKey is VFLMANOGLMTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-9(8-12)4-2-6-11-7-3-5-10/h9,11-12H,2-8H2,1H3.
What are the key properties of 5-(3-fluoropropylamino)-2-methylpentan-1-ol?
5-(3-fluoropropylamino)-2-methylpentan-1-ol has a molecular weight of 177.26 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 106160045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).