1-[(1-fluorocyclopropyl)methyl]-4-methylazepane

C11H20FN — CID 130667715

IUPAC1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
SMILESCC1CCCN(CC2(F)CC2)CC1
InChIInChI=1S/C11H20FN/c1-10-3-2-7-13(8-4-10)9-11(12)5-6-11/h10H,2-9H2,1H3
InChIKeyCHIVGMWMVSJHIB-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane

1-[(1-fluorocyclopropyl)methyl]-4-methylazepane (PubChem CID 130667715) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
PubChem CID130667715
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
SMILESCC1CCCN(CC2(F)CC2)CC1
InChIInChI=1S/C11H20FN/c1-10-3-2-7-13(8-4-10)9-11(12)5-6-11/h10H,2-9H2,1H3
InChIKeyCHIVGMWMVSJHIB-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
CID 130727528
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 176561897
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanamine
CID 65479951
1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 63622664
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
CID 130905098
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071646
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane
CID 55247480

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane (CID 130667715) is 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane is CC1CCCN(CC2(F)CC2)CC1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane?
The InChIKey is CHIVGMWMVSJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10-3-2-7-13(8-4-10)9-11(12)5-6-11/h10H,2-9H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane?
1-[(1-fluorocyclopropyl)methyl]-4-methylazepane has a molecular weight of 185.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-4-methylazepane is sourced from PubChem (CID 130667715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).