2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole

C15H23N — CID 177282893

IUPAC2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole
SMILESCC(C)c1cc2c(c(C(C)C)c1)CN(C)C2
InChIInChI=1S/C15H23N/c1-10(2)12-6-13-8-16(5)9-15(13)14(7-12)11(3)4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyOYSVNGHZPKABAE-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.88
Rot. Bonds2

About 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole

2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole (PubChem CID 177282893) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole
PubChem CID177282893
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole
SMILESCC(C)c1cc2c(c(C(C)C)c1)CN(C)C2
InChIInChI=1S/C15H23N/c1-10(2)12-6-13-8-16(5)9-15(13)14(7-12)11(3)4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyOYSVNGHZPKABAE-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-6-propan-2-yl-1,3-dihydroisoindole
CID 168888761
4,6-di(propan-2-yl)-2,3-dihydro-1H-indole
CID 14344795
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 156637555
6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
CID 154096528
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134
CID 101233862
CID 101233862
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
bis[2,4,6-tri(propan-2-yl)phenyl]germane
CID 71343686
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
3,12,21-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,12,21-triazatetracyclo[21.4.0.05,10.014,19]heptacosa-1(27),5,7,9,14,16,18,23,25-nonaene
CID 11007699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole (CID 177282893) is 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole is CC(C)c1cc2c(c(C(C)C)c1)CN(C)C2.
What is the InChIKey of 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole?
The InChIKey is OYSVNGHZPKABAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)12-6-13-8-16(5)9-15(13)14(7-12)11(3)4/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole?
2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole has a molecular weight of 217.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-di(propan-2-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 177282893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).