2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole

C23H28N2 — CID 177061562

IUPAC2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole
SMILESCC(C)c1cccc2c1N=CC2.CC1=Nc2cc(C(C)C)ccc2C1
InChIInChI=1S/C12H15N.C11H13N/c1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10/h4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3
InChIKeyPEXAZUCKKMDBPZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.53
Rot. Bonds2

About 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole

2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole (PubChem CID 177061562) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole
PubChem CID177061562
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole
SMILESCC(C)c1cccc2c1N=CC2.CC1=Nc2cc(C(C)C)ccc2C1
InChIInChI=1S/C12H15N.C11H13N/c1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10/h4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3
InChIKeyPEXAZUCKKMDBPZ-UHFFFAOYSA-N
XLogP6.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole
CID 156752898
N,6-di(propan-2-yl)-3H-indole-2-carboxamide
CID 158958831
7-propan-2-yl-3,4-dihydroquinoline-2-carbaldehyde
CID 163949340
(2-methyl-3H-indol-6-yl)boronic acid
CID 163522544
5,6-di(propan-2-yl)-3H-indole
CID 118098351
1,6-di(propan-2-yl)naphthalene
CID 3016596
1-(2-methyl-3H-indol-6-yl)-3-naphthalen-2-ylurea
CID 164971950
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
6-propan-2-yl-1,2-dihydroquinoxaline
CID 166091073
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2,4-di(propan-2-yl)phenol
CID 18048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole?
The IUPAC name of 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole (CID 177061562) is 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole.
What is the SMILES notation for 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole?
The canonical SMILES for 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole is CC(C)c1cccc2c1N=CC2.CC1=Nc2cc(C(C)C)ccc2C1.
What is the InChIKey of 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole?
The InChIKey is PEXAZUCKKMDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13N/c1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10/h4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole?
2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole has a molecular weight of 332.49 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole is sourced from PubChem (CID 177061562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).