4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine

C15H26N2 — CID 174316939

IUPAC4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine
SMILESCC(C)/N=C1\CC2=C(CCCC2C)N1C(C)C
InChIInChI=1S/C15H26N2/c1-10(2)16-15-9-13-12(5)7-6-8-14(13)17(15)11(3)4/h10-12H,6-9H2,1-5H3/b16-15+
InChIKeyAJUPXTBUBXTUMB-FOCLMDBBSA-N
MW234.39 g/mol
LogP3.98
Rot. Bonds2

About 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine

4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine (PubChem CID 174316939) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine.

Molecular Properties

Compound Name4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine
PubChem CID174316939
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine
SMILESCC(C)/N=C1\CC2=C(CCCC2C)N1C(C)C
InChIInChI=1S/C15H26N2/c1-10(2)16-15-9-13-12(5)7-6-8-14(13)17(15)11(3)4/h10-12H,6-9H2,1-5H3/b16-15+
InChIKeyAJUPXTBUBXTUMB-FOCLMDBBSA-N
XLogP3.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine?
The IUPAC name of 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine (CID 174316939) is 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine.
What is the SMILES notation for 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine?
The canonical SMILES for 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine is CC(C)/N=C1\CC2=C(CCCC2C)N1C(C)C.
What is the InChIKey of 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine?
The InChIKey is AJUPXTBUBXTUMB-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H26N2/c1-10(2)16-15-9-13-12(5)7-6-8-14(13)17(15)11(3)4/h10-12H,6-9H2,1-5H3/b16-15+.
What are the key properties of 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine?
4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine has a molecular weight of 234.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,1-di(propan-2-yl)-4,5,6,7-tetrahydro-3H-indol-2-imine is sourced from PubChem (CID 174316939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).