3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine

C9H18FN — CID 167569034

IUPAC3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCC(C)CNC1CC(C)(F)C1
InChIInChI=1S/C9H18FN/c1-7(2)6-11-8-4-9(3,10)5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyNBGYNRJDDJNIHI-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds3

About 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine

3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine (PubChem CID 167569034) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine
PubChem CID167569034
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCC(C)CNC1CC(C)(F)C1
InChIInChI=1S/C9H18FN/c1-7(2)6-11-8-4-9(3,10)5-8/h7-8,11H,4-6H2,1-3H3
InChIKeyNBGYNRJDDJNIHI-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
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 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine (CID 167569034) is 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine is CC(C)CNC1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is NBGYNRJDDJNIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)6-11-8-4-9(3,10)5-8/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine?
3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-(2-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 167569034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).