2-cyclopentyl-2-propylazepane

C14H27N — CID 79118759

IUPAC2-cyclopentyl-2-propylazepane
SMILESCCCC1(C2CCCC2)CCCCCN1
InChIInChI=1S/C14H27N/c1-2-10-14(13-8-4-5-9-13)11-6-3-7-12-15-14/h13,15H,2-12H2,1H3
InChIKeyVLVOBPLKJUWLNA-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds3

About 2-cyclopentyl-2-propylazepane

2-cyclopentyl-2-propylazepane (PubChem CID 79118759) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-cyclopentyl-2-propylazepane.

Molecular Properties

Compound Name2-cyclopentyl-2-propylazepane
PubChem CID79118759
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-cyclopentyl-2-propylazepane
SMILESCCCC1(C2CCCC2)CCCCCN1
InChIInChI=1S/C14H27N/c1-2-10-14(13-8-4-5-9-13)11-6-3-7-12-15-14/h13,15H,2-12H2,1H3
InChIKeyVLVOBPLKJUWLNA-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(Cyclopentylmethyl)-2-methylpyrrolidine
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2,2-Ditert-butylazepane
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3-Fluoro-3,5-dimethyl-6-propylazepane
CID 123474102
(1S)-N-tert-butyl-3-(1-fluorobutan-2-yl)cyclopentan-1-amine
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5-Methyl-2-(propan-2-yl)azepane
CID 300307
1,4,4-Trimethyl-3-azabicyclo[3.2.1]octane
CID 12219829
(2R)-2-[(2R)-butan-2-yl]azepane
CID 92208703
(2R)-2-[(2S)-butan-2-yl]azepane
CID 92208704
Hexahydro-4-methyl-2-propyl-1H-azepine
CID 129808942
(4R,7S)-2,4-dimethyl-7-propan-2-ylazepane
CID 130888278

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-propylazepane?
The IUPAC name of 2-cyclopentyl-2-propylazepane (CID 79118759) is 2-cyclopentyl-2-propylazepane.
What is the SMILES notation for 2-cyclopentyl-2-propylazepane?
The canonical SMILES for 2-cyclopentyl-2-propylazepane is CCCC1(C2CCCC2)CCCCCN1.
What is the InChIKey of 2-cyclopentyl-2-propylazepane?
The InChIKey is VLVOBPLKJUWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-2-10-14(13-8-4-5-9-13)11-6-3-7-12-15-14/h13,15H,2-12H2,1H3.
What are the key properties of 2-cyclopentyl-2-propylazepane?
2-cyclopentyl-2-propylazepane has a molecular weight of 209.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-propylazepane is sourced from PubChem (CID 79118759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).