5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol

C11H24FNO — CID 167071812

IUPAC5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol
SMILESCCC(C)(F)CN(C)CCCCCO
InChIInChI=1S/C11H24FNO/c1-4-11(2,12)10-13(3)8-6-5-7-9-14/h14H,4-10H2,1-3H3
InChIKeyVHWIJKSPDOEFES-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.22
Rot. Bonds8

About 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol

5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol (PubChem CID 167071812) has the molecular formula C11H24FNO and a molecular weight of 205.32 g/mol. Its IUPAC name is 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol
PubChem CID167071812
Molecular FormulaC11H24FNO
Molecular Weight205.32 g/mol
Exact Mass205.18
IUPAC Name5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol
SMILESCCC(C)(F)CN(C)CCCCCO
InChIInChI=1S/C11H24FNO/c1-4-11(2,12)10-13(3)8-6-5-7-9-14/h14H,4-10H2,1-3H3
InChIKeyVHWIJKSPDOEFES-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Diethylamino-1-pentanol
CID 520284
5-(Dimethylamino)pentan-1-ol
CID 295978
5-(Dipropylamino)pentan-1-ol
CID 296030
5-Dimethylamino-3-methyl-pentanol
CID 11147796
6-[2-Fluoroethyl(propyl)amino]hexan-1-ol
CID 58019312
[1-(2-Fluoroethyl)piperidin-3-yl]methanol
CID 78067827
2-(1-Ethylpiperidin-4-yl)-2-fluoroethanol
CID 105436240
(2S)-2-(1-tert-butylpiperidin-4-yl)-2-fluoroethanol
CID 126752518
[1-(2-Fluoroethyl)-3-methylpiperidin-3-yl]methanol
CID 126990205
[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol
CID 134429372
[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol
CID 134429393
(4R)-4-fluoro-5-pyrrolidin-1-ylpentan-1-ol
CID 155232855

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol (CID 167071812) is 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol is CCC(C)(F)CN(C)CCCCCO.
What is the InChIKey of 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol?
The InChIKey is VHWIJKSPDOEFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO/c1-4-11(2,12)10-13(3)8-6-5-7-9-14/h14H,4-10H2,1-3H3.
What are the key properties of 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol?
5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol has a molecular weight of 205.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-2-methylbutyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 167071812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).