5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine

C15H23N — CID 170003016

IUPAC5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine
SMILESC=CNC1=C(CCCC)CCC2=C1CCC2
InChIInChI=1S/C15H23N/c1-3-5-7-13-11-10-12-8-6-9-14(12)15(13)16-4-2/h4,16H,2-3,5-11H2,1H3
InChIKeyHBQPEVRUYHRNGT-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.44
Rot. Bonds5

About 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine

5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine (PubChem CID 170003016) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine
PubChem CID170003016
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine
SMILESC=CNC1=C(CCCC)CCC2=C1CCC2
InChIInChI=1S/C15H23N/c1-3-5-7-13-11-10-12-8-6-9-14(12)15(13)16-4-2/h4,16H,2-3,5-11H2,1H3
InChIKeyHBQPEVRUYHRNGT-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine?
The IUPAC name of 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine (CID 170003016) is 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine.
What is the SMILES notation for 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine?
The canonical SMILES for 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine is C=CNC1=C(CCCC)CCC2=C1CCC2.
What is the InChIKey of 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine?
The InChIKey is HBQPEVRUYHRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-5-7-13-11-10-12-8-6-9-14(12)15(13)16-4-2/h4,16H,2-3,5-11H2,1H3.
What are the key properties of 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine?
5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine has a molecular weight of 217.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-ethenyl-2,3,6,7-tetrahydro-1H-inden-4-amine is sourced from PubChem (CID 170003016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).