4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine

C11H23FN2 — CID 115022738

IUPAC4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine
SMILESCC(C)CN1CCCC(N)(CF)CC1
InChIInChI=1S/C11H23FN2/c1-10(2)8-14-6-3-4-11(13,9-12)5-7-14/h10H,3-9,13H2,1-2H3
InChIKeyLMCZLCBBGINLJX-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.80
Rot. Bonds3

About 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine

4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine (PubChem CID 115022738) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine
PubChem CID115022738
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine
SMILESCC(C)CN1CCCC(N)(CF)CC1
InChIInChI=1S/C11H23FN2/c1-10(2)8-14-6-3-4-11(13,9-12)5-7-14/h10H,3-9,13H2,1-2H3
InChIKeyLMCZLCBBGINLJX-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Azepan-1-yl)-2-methylbutan-2-amine
CID 64678326
(1-Methylazepan-3-yl)methanamine
CID 83904938
1-Tert-butyl-4-fluoro-4-methylazepane
CID 135271490
(4R)-1-tert-butyl-4-(2,2-difluoroethyl)azepan-4-amine
CID 155184112
(4R)-4-(2,2-difluoroethyl)-1-methylazepan-4-amine
CID 155204122
(4R)-4-(2,2-difluoroethyl)-1-propan-2-ylazepan-4-amine
CID 156483012
(4R)-4-(2,2-difluoroethyl)-1-hexan-2-ylazepan-4-amine
CID 156483013
1-(2,2-Difluoroethyl)-5-methylazepan-4-amine
CID 169135404
(4R)-4-(2,2-difluoroethyl)-1-pentan-2-ylazepan-4-amine
CID 170022719
(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine
CID 178125860
4,4,4-Trifluoro-3-(4-methylazepan-1-yl)butan-1-amine
CID 63622757
4,4,4-Trifluoro-3-(4-propylazepan-1-yl)butan-1-amine
CID 64351958

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine?
The IUPAC name of 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine (CID 115022738) is 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine.
What is the SMILES notation for 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine?
The canonical SMILES for 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine is CC(C)CN1CCCC(N)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine?
The InChIKey is LMCZLCBBGINLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-10(2)8-14-6-3-4-11(13,9-12)5-7-14/h10H,3-9,13H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine?
4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine has a molecular weight of 202.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(2-methylpropyl)azepan-4-amine is sourced from PubChem (CID 115022738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).