1-fluoro-N,4-dimethylpentan-2-amine

C7H16FN — CID 112708643

IUPAC1-fluoro-N,4-dimethylpentan-2-amine
SMILESCNC(CF)CC(C)C
InChIInChI=1S/C7H16FN/c1-6(2)4-7(5-8)9-3/h6-7,9H,4-5H2,1-3H3
InChIKeyJJDQKRBNSZNGSF-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.59
Rot. Bonds4

About 1-fluoro-N,4-dimethylpentan-2-amine

1-fluoro-N,4-dimethylpentan-2-amine (PubChem CID 112708643) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 1-fluoro-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-fluoro-N,4-dimethylpentan-2-amine
PubChem CID112708643
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name1-fluoro-N,4-dimethylpentan-2-amine
SMILESCNC(CF)CC(C)C
InChIInChI=1S/C7H16FN/c1-6(2)4-7(5-8)9-3/h6-7,9H,4-5H2,1-3H3
InChIKeyJJDQKRBNSZNGSF-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
CID 168776227
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine
CID 161290387
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
N,2-dimethyloct-6-yn-4-amine
CID 62312179
N,5,7-trimethyloctan-3-amine
CID 123511770
6-methyl-4-(methylamino)heptanoic acid
CID 112517667
1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315
2-amino-6-methyl-4-(methylamino)heptanoic acid
CID 116957753
methyl 6-methyl-4-(methylamino)heptanoate
CID 116955487
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-fluoro-N,4-dimethylpentan-2-amine (CID 112708643) is 1-fluoro-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-fluoro-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-fluoro-N,4-dimethylpentan-2-amine is CNC(CF)CC(C)C.
What is the InChIKey of 1-fluoro-N,4-dimethylpentan-2-amine?
The InChIKey is JJDQKRBNSZNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-6(2)4-7(5-8)9-3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-N,4-dimethylpentan-2-amine?
1-fluoro-N,4-dimethylpentan-2-amine has a molecular weight of 133.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 112708643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).