2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine

C12H25FN2 — CID 112566608

IUPAC2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCCCCN1
InChIInChI=1S/C12H25FN2/c1-11(2,3)12(13,9-14)10-7-5-4-6-8-15-10/h10,15H,4-9,14H2,1-3H3
InChIKeyBEGBFMXBLMUYOS-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.23
Rot. Bonds2

About 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine

2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566608) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566608
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCCCCN1
InChIInChI=1S/C12H25FN2/c1-11(2,3)12(13,9-14)10-7-5-4-6-8-15-10/h10,15H,4-9,14H2,1-3H3
InChIKeyBEGBFMXBLMUYOS-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-piperidin-2-ylethanamine;dihydrochloride
CID 69457238
(2S)-2-(trifluoromethyl)azepane
CID 52810921
2-piperidin-2-ylpropan-2-amine
CID 55284786
2-(1-cyclopentyl-1-fluoroethyl)piperidine
CID 105452461
2-(2-methylbutan-2-yl)azepane
CID 62677449
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
2-(2-methylbutan-2-yl)piperidine
CID 118553273
2-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855167
1,1,1-triamino-3-(azocan-2-yl)-2-methylbutane-2,3-diol
CID 142662822
2-tert-butylpiperidine;sulfuric acid
CID 175316087
2-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853698
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566608) is 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)C1CCCCCN1.
What is the InChIKey of 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is BEGBFMXBLMUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-11(2,3)12(13,9-14)10-7-5-4-6-8-15-10/h10,15H,4-9,14H2,1-3H3.
What are the key properties of 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 216.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).