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

C14H22N2 — CID 62265555

IUPAC2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine
SMILESCCCC(C)CN1Cc2ccc(N)cc2C1
InChIInChI=1S/C14H22N2/c1-3-4-11(2)8-16-9-12-5-6-14(15)7-13(12)10-16/h5-7,11H,3-4,8-10,15H2,1-2H3
InChIKeyJJMICYMTMBPVSP-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.02
Rot. Bonds4

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

2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine (PubChem CID 62265555) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine
PubChem CID62265555
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine
SMILESCCCC(C)CN1Cc2ccc(N)cc2C1
InChIInChI=1S/C14H22N2/c1-3-4-11(2)8-16-9-12-5-6-14(15)7-13(12)10-16/h5-7,11H,3-4,8-10,15H2,1-2H3
InChIKeyJJMICYMTMBPVSP-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methylpentyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine (CID 62265555) is 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine is CCCC(C)CN1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is JJMICYMTMBPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-11(2)8-16-9-12-5-6-14(15)7-13(12)10-16/h5-7,11H,3-4,8-10,15H2,1-2H3.
What are the key properties of 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine?
2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 218.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 62265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).