2-butyl-1,3-dihydroisoindol-4-amine

C12H18N2 — CID 43370059

IUPAC2-butyl-1,3-dihydroisoindol-4-amine
SMILESCCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C12H18N2/c1-2-3-7-14-8-10-5-4-6-12(13)11(10)9-14/h4-6H,2-3,7-9,13H2,1H3
InChIKeyMZJPCZPYCHIABC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.38
Rot. Bonds3

About 2-butyl-1,3-dihydroisoindol-4-amine

2-butyl-1,3-dihydroisoindol-4-amine (PubChem CID 43370059) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-butyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-butyl-1,3-dihydroisoindol-4-amine
PubChem CID43370059
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-butyl-1,3-dihydroisoindol-4-amine
SMILESCCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C12H18N2/c1-2-3-7-14-8-10-5-4-6-12(13)11(10)9-14/h4-6H,2-3,7-9,13H2,1H3
InChIKeyMZJPCZPYCHIABC-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-butyl-1,3-dihydroisoindol-4-amine (CID 43370059) is 2-butyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-butyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-butyl-1,3-dihydroisoindol-4-amine is CCCCN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-butyl-1,3-dihydroisoindol-4-amine?
The InChIKey is MZJPCZPYCHIABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-3-7-14-8-10-5-4-6-12(13)11(10)9-14/h4-6H,2-3,7-9,13H2,1H3.
What are the key properties of 2-butyl-1,3-dihydroisoindol-4-amine?
2-butyl-1,3-dihydroisoindol-4-amine has a molecular weight of 190.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).