(2S)-2-fluoro-N,5-dimethylhexan-1-amine

C8H18FN — CID 129462625

IUPAC(2S)-2-fluoro-N,5-dimethylhexan-1-amine
SMILESCNC[C@@H](F)CCC(C)C
InChIInChI=1S/C8H18FN/c1-7(2)4-5-8(9)6-10-3/h7-8,10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyCUIZTKMGNGWEFD-QMMMGPOBSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds5

About (2S)-2-fluoro-N,5-dimethylhexan-1-amine

(2S)-2-fluoro-N,5-dimethylhexan-1-amine (PubChem CID 129462625) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is (2S)-2-fluoro-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-N,5-dimethylhexan-1-amine
PubChem CID129462625
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name(2S)-2-fluoro-N,5-dimethylhexan-1-amine
SMILESCNC[C@@H](F)CCC(C)C
InChIInChI=1S/C8H18FN/c1-7(2)4-5-8(9)6-10-3/h7-8,10H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyCUIZTKMGNGWEFD-QMMMGPOBSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-N-methylbutan-1-amine
CID 147861140
2-fluoro-N,N',N'-trimethylbutane-1,4-diamine
CID 175905976
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
CID 153412007
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
CID 142196166
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
1,1-difluoro-3-(3-methylbutylamino)propan-2-ol
CID 103578687
2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride
CID 122239914

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N,5-dimethylhexan-1-amine?
The IUPAC name of (2S)-2-fluoro-N,5-dimethylhexan-1-amine (CID 129462625) is (2S)-2-fluoro-N,5-dimethylhexan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-N,5-dimethylhexan-1-amine?
The canonical SMILES for (2S)-2-fluoro-N,5-dimethylhexan-1-amine is CNC[C@@H](F)CCC(C)C.
What is the InChIKey of (2S)-2-fluoro-N,5-dimethylhexan-1-amine?
The InChIKey is CUIZTKMGNGWEFD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(2)4-5-8(9)6-10-3/h7-8,10H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-fluoro-N,5-dimethylhexan-1-amine?
(2S)-2-fluoro-N,5-dimethylhexan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 129462625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).