1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine

C15H24N2 — CID 62204648

IUPAC1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(CN1Cc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C15H24N2/c1-15(2,3)14(16-4)11-17-9-12-7-5-6-8-13(12)10-17/h5-8,14,16H,9-11H2,1-4H3
InChIKeyJNBVHMPYFYBUFE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.64
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine

1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 62204648) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID62204648
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(CN1Cc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C15H24N2/c1-15(2,3)14(16-4)11-17-9-12-7-5-6-8-13(12)10-17/h5-8,14,16H,9-11H2,1-4H3
InChIKeyJNBVHMPYFYBUFE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine (CID 62204648) is 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine is CNC(CN1Cc2ccccc2C1)C(C)(C)C.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is JNBVHMPYFYBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)14(16-4)11-17-9-12-7-5-6-8-13(12)10-17/h5-8,14,16H,9-11H2,1-4H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine?
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 62204648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).