6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine

C9H18FIN2 — CID 167084651

IUPAC6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine
SMILESCC(I)NC1CCN(C)CC(F)C1
InChIInChI=1S/C9H18FIN2/c1-7(11)12-9-3-4-13(2)6-8(10)5-9/h7-9,12H,3-6H2,1-2H3
InChIKeyHBLXDJCMYFTVCJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.79
Rot. Bonds2

About 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine

6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine (PubChem CID 167084651) has the molecular formula C9H18FIN2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine
PubChem CID167084651
Molecular FormulaC9H18FIN2
Molecular Weight300.16 g/mol
Exact Mass300.05
IUPAC Name6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine
SMILESCC(I)NC1CCN(C)CC(F)C1
InChIInChI=1S/C9H18FIN2/c1-7(11)12-9-3-4-13(2)6-8(10)5-9/h7-9,12H,3-6H2,1-2H3
InChIKeyHBLXDJCMYFTVCJ-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine
CID 134444032
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
3-fluoro-1-methylpyrrolidine;methoxymethane
CID 162743316
N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine
CID 131048505
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 154950670
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine?
The IUPAC name of 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine (CID 167084651) is 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine.
What is the SMILES notation for 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine?
The canonical SMILES for 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine is CC(I)NC1CCN(C)CC(F)C1.
What is the InChIKey of 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine?
The InChIKey is HBLXDJCMYFTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FIN2/c1-7(11)12-9-3-4-13(2)6-8(10)5-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine?
6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine has a molecular weight of 300.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine is sourced from PubChem (CID 167084651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).