(1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine

C8H16FN — CID 176924922

IUPAC(1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)N[C@H]1C[C@H](C)[C@@H]1F
InChIInChI=1S/C8H16FN/c1-5(2)10-7-4-6(3)8(7)9/h5-8,10H,4H2,1-3H3/t6-,7-,8-/m0/s1
InChIKeyUZWSWCXNEBOGMC-FXQIFTODSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds2

About (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine

(1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 176924922) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name(1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID176924922
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)N[C@H]1C[C@H](C)[C@@H]1F
InChIInChI=1S/C8H16FN/c1-5(2)10-7-4-6(3)8(7)9/h5-8,10H,4H2,1-3H3/t6-,7-,8-/m0/s1
InChIKeyUZWSWCXNEBOGMC-FXQIFTODSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1',3,3'-Tetramethyldibutylamine
CID 96012
N-Ethyl-1-amino-1,3-dimethylbutane
CID 39359
(1-Cyclobutylethyl)(ethyl)amine hydrochloride
CID 137952290
4-methyl-N-propylpentan-2-amine
CID 24702983
N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
CID 21355547
(4-Methylpentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24707346
4,4,4-trifluoro-2-methyl-N-propan-2-ylbutan-1-amine
CID 59655736
(1-Cyclobutylethyl)(ethyl)amine
CID 64986458
N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine
CID 66467032
N-[(1R)-1-cyclopropylethyl]-2-fluoropropan-2-amine
CID 67141484
N-(1-cyclopropylethyl)-2-fluoropropan-2-amine
CID 77187032
N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-2-amine
CID 83685671

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine (CID 176924922) is (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine is CC(C)N[C@H]1C[C@H](C)[C@@H]1F.
What is the InChIKey of (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is UZWSWCXNEBOGMC-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16FN/c1-5(2)10-7-4-6(3)8(7)9/h5-8,10H,4H2,1-3H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine?
(1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2-fluoro-3-methyl-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 176924922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).