4-[(1-methylcyclopentyl)methyl]azepane

C13H25N — CID 130578718

IUPAC4-[(1-methylcyclopentyl)methyl]azepane
SMILESCC1(CC2CCCNCC2)CCCC1
InChIInChI=1S/C13H25N/c1-13(7-2-3-8-13)11-12-5-4-9-14-10-6-12/h12,14H,2-11H2,1H3
InChIKeyBNTFLJQUUHTZTK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds2

About 4-[(1-methylcyclopentyl)methyl]azepane

4-[(1-methylcyclopentyl)methyl]azepane (PubChem CID 130578718) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-[(1-methylcyclopentyl)methyl]azepane.

Molecular Properties

Compound Name4-[(1-methylcyclopentyl)methyl]azepane
PubChem CID130578718
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-[(1-methylcyclopentyl)methyl]azepane
SMILESCC1(CC2CCCNCC2)CCCC1
InChIInChI=1S/C13H25N/c1-13(7-2-3-8-13)11-12-5-4-9-14-10-6-12/h12,14H,2-11H2,1H3
InChIKeyBNTFLJQUUHTZTK-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Azepine, hexahydro-3,3,5-trimethyl-
CID 118239
Camphidine
CID 101681
3-Azabicyclo[3.2.1]octane, 1,8,8-trimethyl-, (+)-
CID 536556
1H-Azepine, hexahydro-3,5,5-trimethyl-
CID 118240
2-Azabicyclo(3.2.1)octane, 3,4,4-trimethyl-
CID 46833
4,4-Dimethylazepane
CID 21479113
4-Tert-butylazepane
CID 22764270
Hexahydro-3,3,5,5-tetramethyl-1H-azepine
CID 54129538
9-Azaspiro(5.6)dodecane
CID 58531234
4,4-Diethylazepane
CID 75525697
2,2-Ditert-butylazepane
CID 71287765
8-Azaspiro[5.6]dodecane
CID 75481209

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopentyl)methyl]azepane?
The IUPAC name of 4-[(1-methylcyclopentyl)methyl]azepane (CID 130578718) is 4-[(1-methylcyclopentyl)methyl]azepane.
What is the SMILES notation for 4-[(1-methylcyclopentyl)methyl]azepane?
The canonical SMILES for 4-[(1-methylcyclopentyl)methyl]azepane is CC1(CC2CCCNCC2)CCCC1.
What is the InChIKey of 4-[(1-methylcyclopentyl)methyl]azepane?
The InChIKey is BNTFLJQUUHTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(7-2-3-8-13)11-12-5-4-9-14-10-6-12/h12,14H,2-11H2,1H3.
What are the key properties of 4-[(1-methylcyclopentyl)methyl]azepane?
4-[(1-methylcyclopentyl)methyl]azepane has a molecular weight of 195.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopentyl)methyl]azepane is sourced from PubChem (CID 130578718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).