2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine

C13H20N2 — CID 43370061

IUPAC2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine
SMILESCC(C)CCN1Cc2ccc(N)cc2C1
InChIInChI=1S/C13H20N2/c1-10(2)5-6-15-8-11-3-4-13(14)7-12(11)9-15/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyIVAPZPHQPAQHHW-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine

2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine (PubChem CID 43370061) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine
PubChem CID43370061
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine
SMILESCC(C)CCN1Cc2ccc(N)cc2C1
InChIInChI=1S/C13H20N2/c1-10(2)5-6-15-8-11-3-4-13(14)7-12(11)9-15/h3-4,7,10H,5-6,8-9,14H2,1-2H3
InChIKeyIVAPZPHQPAQHHW-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.63
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-(3-methylbutyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine (CID 43370061) is 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine is CC(C)CCN1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is IVAPZPHQPAQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)5-6-15-8-11-3-4-13(14)7-12(11)9-15/h3-4,7,10H,5-6,8-9,14H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine?
2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 204.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43370061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).