1-(1H-inden-1-yl)azepane

C15H19N — CID 151689000

IUPAC1-(1H-inden-1-yl)azepane
SMILESC1=CC(N2CCCCCC2)c2ccccc21
InChIInChI=1S/C15H19N/c1-2-6-12-16(11-5-1)15-10-9-13-7-3-4-8-14(13)15/h3-4,7-10,15H,1-2,5-6,11-12H2
InChIKeyRCDQMNZSRIXPPN-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.63
Rot. Bonds1

About 1-(1H-inden-1-yl)azepane

1-(1H-inden-1-yl)azepane (PubChem CID 151689000) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(1H-inden-1-yl)azepane.

Molecular Properties

Compound Name1-(1H-inden-1-yl)azepane
PubChem CID151689000
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-(1H-inden-1-yl)azepane
SMILESC1=CC(N2CCCCCC2)c2ccccc21
InChIInChI=1S/C15H19N/c1-2-6-12-16(11-5-1)15-10-9-13-7-3-4-8-14(13)15/h3-4,7-10,15H,1-2,5-6,11-12H2
InChIKeyRCDQMNZSRIXPPN-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-1H-indene;titanium;dihydrochloride
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1-(1-ethylcyclohexyl)-1H-indene
CID 173422097
1H-inden-1-amine
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1-cyclopropyl-1H-indene
CID 15439193
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-1-yl)azepane?
The IUPAC name of 1-(1H-inden-1-yl)azepane (CID 151689000) is 1-(1H-inden-1-yl)azepane.
What is the SMILES notation for 1-(1H-inden-1-yl)azepane?
The canonical SMILES for 1-(1H-inden-1-yl)azepane is C1=CC(N2CCCCCC2)c2ccccc21.
What is the InChIKey of 1-(1H-inden-1-yl)azepane?
The InChIKey is RCDQMNZSRIXPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-6-12-16(11-5-1)15-10-9-13-7-3-4-8-14(13)15/h3-4,7-10,15H,1-2,5-6,11-12H2.
What are the key properties of 1-(1H-inden-1-yl)azepane?
1-(1H-inden-1-yl)azepane has a molecular weight of 213.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-1-yl)azepane is sourced from PubChem (CID 151689000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).