2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine

C14H22N2 — CID 62205880

IUPAC2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)N1Cc2ccccc2C1
InChIInChI=1S/C14H22N2/c1-14(2,3)13(8-15)16-9-11-6-4-5-7-12(11)10-16/h4-7,13H,8-10,15H2,1-3H3
InChIKeyVMAKDCNKXDGGGO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.38
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine

2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 62205880) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID62205880
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)N1Cc2ccccc2C1
InChIInChI=1S/C14H22N2/c1-14(2,3)13(8-15)16-9-11-6-4-5-7-12(11)10-16/h4-7,13H,8-10,15H2,1-3H3
InChIKeyVMAKDCNKXDGGGO-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
2-(azetidin-1-yl)-3,3-dimethylbutan-1-amine
CID 105430583
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
CID 62205355
2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine
CID 62204461
2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylpentanenitrile
CID 64726912
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 62206935
2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine
CID 62204806
1-(1,3-dihydroisoindol-2-yl)propan-1-ol
CID 145041620
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2,2-dimethylpropan-1-ol
CID 79137553

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine (CID 62205880) is 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is VMAKDCNKXDGGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)13(8-15)16-9-11-6-4-5-7-12(11)10-16/h4-7,13H,8-10,15H2,1-3H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62205880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).