3-cyclopropyl-3-fluoro-2-methylbutan-1-amine

C8H16FN — CID 105428835

IUPAC3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
SMILESCC(CN)C(C)(F)C1CC1
InChIInChI=1S/C8H16FN/c1-6(5-10)8(2,9)7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKeyLASGCVKNEHNNKG-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.72
Rot. Bonds3

About 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine

3-cyclopropyl-3-fluoro-2-methylbutan-1-amine (PubChem CID 105428835) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
PubChem CID105428835
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
SMILESCC(CN)C(C)(F)C1CC1
InChIInChI=1S/C8H16FN/c1-6(5-10)8(2,9)7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKeyLASGCVKNEHNNKG-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethylhexan-1-amine
CID 20328494
1-(2,2-Diethylcyclopropyl)methanamine
CID 44827664
3,4-Dimethylhexan-1-amine hydrochloride
CID 165946625
3,4-Dimethylhexan-1-amine
CID 19083263
(2S)-2-ethyl-4-methylpentan-1-amine
CID 55290279
3-Fluoro-3-methylhexan-1-amine
CID 84762375
1-Fluoro-3-methyl-2-propan-2-ylbutan-1-amine
CID 87858836
1-Fluoro-3-methylhexan-1-amine
CID 88179696
2-(2-Fluoropropan-2-yl)pentan-1-amine
CID 105429102
5-Fluoro-4-methylhexan-1-amine
CID 117742166
2-Fluoro-3,4-dimethylpentan-1-amine
CID 127000052
2-Fluoro-3,5-dimethylhexan-1-amine
CID 129075174

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine?
The IUPAC name of 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine (CID 105428835) is 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine.
What is the SMILES notation for 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine?
The canonical SMILES for 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine is CC(CN)C(C)(F)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine?
The InChIKey is LASGCVKNEHNNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(5-10)8(2,9)7-3-4-7/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine?
3-cyclopropyl-3-fluoro-2-methylbutan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-fluoro-2-methylbutan-1-amine is sourced from PubChem (CID 105428835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).