4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine

C7H13FN2 — CID 163843988

IUPAC4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine
SMILESCC1=NCC(N)C(F)CC1
InChIInChI=1S/C7H13FN2/c1-5-2-3-6(8)7(9)4-10-5/h6-7H,2-4,9H2,1H3
InChIKeyOOMPCTVESLDOJP-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.91
Rot. Bonds

About 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine

4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine (PubChem CID 163843988) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine.

Molecular Properties

Compound Name4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine
PubChem CID163843988
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine
SMILESCC1=NCC(N)C(F)CC1
InChIInChI=1S/C7H13FN2/c1-5-2-3-6(8)7(9)4-10-5/h6-7H,2-4,9H2,1H3
InChIKeyOOMPCTVESLDOJP-UHFFFAOYSA-N
XLogP0.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine?
The IUPAC name of 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine (CID 163843988) is 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine.
What is the SMILES notation for 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine?
The canonical SMILES for 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine is CC1=NCC(N)C(F)CC1.
What is the InChIKey of 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine?
The InChIKey is OOMPCTVESLDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-5-2-3-6(8)7(9)4-10-5/h6-7H,2-4,9H2,1H3.
What are the key properties of 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine?
4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine has a molecular weight of 144.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-3,4,5,6-tetrahydro-2H-azepin-3-amine is sourced from PubChem (CID 163843988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).