2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane

C15H25N — CID 159739585

IUPAC2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane
SMILESC.CC(C)C1Nc2ccccc2C1C(C)C
InChIInChI=1S/C14H21N.CH4/c1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;/h5-10,13-15H,1-4H3;1H4
InChIKeyNCGWHYGFAODHLH-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.51
Rot. Bonds2

About 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane

2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane (PubChem CID 159739585) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane
PubChem CID159739585
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane
SMILESC.CC(C)C1Nc2ccccc2C1C(C)C
InChIInChI=1S/C14H21N.CH4/c1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;/h5-10,13-15H,1-4H3;1H4
InChIKeyNCGWHYGFAODHLH-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane?
The IUPAC name of 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane (CID 159739585) is 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane.
What is the SMILES notation for 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane?
The canonical SMILES for 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane is C.CC(C)C1Nc2ccccc2C1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane?
The InChIKey is NCGWHYGFAODHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.CH4/c1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;/h5-10,13-15H,1-4H3;1H4.
What are the key properties of 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane?
2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane has a molecular weight of 219.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-2,3-dihydro-1H-indole;methane is sourced from PubChem (CID 159739585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).