N-butyl-6,7-dihydro-3H-inden-4-amine

C13H19N — CID 70468511

IUPACN-butyl-6,7-dihydro-3H-inden-4-amine
SMILESCCCCNC1=CCCC2=C1CC=C2
InChIInChI=1S/C13H19N/c1-2-3-10-14-13-9-5-7-11-6-4-8-12(11)13/h4,6,9,14H,2-3,5,7-8,10H2,1H3
InChIKeyFROWBYZYFJUYNU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.31
Rot. Bonds4

About N-butyl-6,7-dihydro-3H-inden-4-amine

N-butyl-6,7-dihydro-3H-inden-4-amine (PubChem CID 70468511) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-butyl-6,7-dihydro-3H-inden-4-amine.

Molecular Properties

Compound NameN-butyl-6,7-dihydro-3H-inden-4-amine
PubChem CID70468511
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-butyl-6,7-dihydro-3H-inden-4-amine
SMILESCCCCNC1=CCCC2=C1CC=C2
InChIInChI=1S/C13H19N/c1-2-3-10-14-13-9-5-7-11-6-4-8-12(11)13/h4,6,9,14H,2-3,5,7-8,10H2,1H3
InChIKeyFROWBYZYFJUYNU-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6,7-dihydro-3H-inden-4-amine?
The IUPAC name of N-butyl-6,7-dihydro-3H-inden-4-amine (CID 70468511) is N-butyl-6,7-dihydro-3H-inden-4-amine.
What is the SMILES notation for N-butyl-6,7-dihydro-3H-inden-4-amine?
The canonical SMILES for N-butyl-6,7-dihydro-3H-inden-4-amine is CCCCNC1=CCCC2=C1CC=C2.
What is the InChIKey of N-butyl-6,7-dihydro-3H-inden-4-amine?
The InChIKey is FROWBYZYFJUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-10-14-13-9-5-7-11-6-4-8-12(11)13/h4,6,9,14H,2-3,5,7-8,10H2,1H3.
What are the key properties of N-butyl-6,7-dihydro-3H-inden-4-amine?
N-butyl-6,7-dihydro-3H-inden-4-amine has a molecular weight of 189.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6,7-dihydro-3H-inden-4-amine is sourced from PubChem (CID 70468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).