2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine

C14H22N2 — CID 61470514

IUPAC2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine
SMILESCCC(C(C)C)N1Cc2cccc(N)c2C1
InChIInChI=1S/C14H22N2/c1-4-14(10(2)3)16-8-11-6-5-7-13(15)12(11)9-16/h5-7,10,14H,4,8-9,15H2,1-3H3
InChIKeySSIFENVCHSYHTI-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.02
Rot. Bonds3

About 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine

2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine (PubChem CID 61470514) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine
PubChem CID61470514
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine
SMILESCCC(C(C)C)N1Cc2cccc(N)c2C1
InChIInChI=1S/C14H22N2/c1-4-14(10(2)3)16-8-11-6-5-7-13(15)12(11)9-16/h5-7,10,14H,4,8-9,15H2,1-3H3
InChIKeySSIFENVCHSYHTI-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.02
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-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine (CID 61470514) is 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine is CCC(C(C)C)N1Cc2cccc(N)c2C1.
What is the InChIKey of 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine?
The InChIKey is SSIFENVCHSYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-14(10(2)3)16-8-11-6-5-7-13(15)12(11)9-16/h5-7,10,14H,4,8-9,15H2,1-3H3.
What are the key properties of 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine?
2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine has a molecular weight of 218.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-yl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 61470514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).