4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine

C15H22N2 — CID 67187732

IUPAC4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c1cccc2N1CCCCCC1
InChIInChI=1S/C15H22N2/c16-14-9-8-13-12(14)6-5-7-15(13)17-10-3-1-2-4-11-17/h5-7,14H,1-4,8-11,16H2
InChIKeyPAQUPJQUDYHOMP-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.01
Rot. Bonds1

About 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine

4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 67187732) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID67187732
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c1cccc2N1CCCCCC1
InChIInChI=1S/C15H22N2/c16-14-9-8-13-12(14)6-5-7-15(13)17-10-3-1-2-4-11-17/h5-7,14H,1-4,8-11,16H2
InChIKeyPAQUPJQUDYHOMP-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine (CID 67187732) is 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine is NC1CCc2c1cccc2N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PAQUPJQUDYHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-9-8-13-12(14)6-5-7-15(13)17-10-3-1-2-4-11-17/h5-7,14H,1-4,8-11,16H2.
What are the key properties of 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 67187732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).