(1-tert-butyl-4-fluoroazepan-4-yl)methanamine

C11H23FN2 — CID 115022739

IUPAC(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
SMILESCC(C)(C)N1CCCC(F)(CN)CC1
InChIInChI=1S/C11H23FN2/c1-10(2,3)14-7-4-5-11(12,9-13)6-8-14/h4-9,13H2,1-3H3
InChIKeyGFIRIGPKHORSCX-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.94
Rot. Bonds1

About (1-tert-butyl-4-fluoroazepan-4-yl)methanamine

(1-tert-butyl-4-fluoroazepan-4-yl)methanamine (PubChem CID 115022739) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is (1-tert-butyl-4-fluoroazepan-4-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
PubChem CID115022739
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
SMILESCC(C)(C)N1CCCC(F)(CN)CC1
InChIInChI=1S/C11H23FN2/c1-10(2,3)14-7-4-5-11(12,9-13)6-8-14/h4-9,13H2,1-3H3
InChIKeyGFIRIGPKHORSCX-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293
3-(aminomethyl)-1-tert-butylpiperidin-3-ol
CID 115017167
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine
CID 106661111
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine
CID 61430079
(4-amino-1-tert-butylpiperidin-4-yl)methanol
CID 3742222
N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine
CID 90463347
8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
CID 159153104
1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
CID 118031425

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-4-fluoroazepan-4-yl)methanamine?
The IUPAC name of (1-tert-butyl-4-fluoroazepan-4-yl)methanamine (CID 115022739) is (1-tert-butyl-4-fluoroazepan-4-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-4-fluoroazepan-4-yl)methanamine?
The canonical SMILES for (1-tert-butyl-4-fluoroazepan-4-yl)methanamine is CC(C)(C)N1CCCC(F)(CN)CC1.
What is the InChIKey of (1-tert-butyl-4-fluoroazepan-4-yl)methanamine?
The InChIKey is GFIRIGPKHORSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-10(2,3)14-7-4-5-11(12,9-13)6-8-14/h4-9,13H2,1-3H3.
What are the key properties of (1-tert-butyl-4-fluoroazepan-4-yl)methanamine?
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine has a molecular weight of 202.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-4-fluoroazepan-4-yl)methanamine is sourced from PubChem (CID 115022739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).