3-tert-butyl-4,6-dihydroindol-5-imine

C12H16N2 — CID 123975434

IUPAC3-tert-butyl-4,6-dihydroindol-5-imine
SMILES[H]/N=C1\CC=C2N=CC(C(C)(C)C)=C2C1
InChIInChI=1S/C12H16N2/c1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h5,7,13H,4,6H2,1-3H3/b13-8+
InChIKeyQGYTZIQHDOJRBV-MDWZMJQESA-N
MW188.27 g/mol
LogP3.11
Rot. Bonds

About 3-tert-butyl-4,6-dihydroindol-5-imine

3-tert-butyl-4,6-dihydroindol-5-imine (PubChem CID 123975434) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-tert-butyl-4,6-dihydroindol-5-imine.

Molecular Properties

Compound Name3-tert-butyl-4,6-dihydroindol-5-imine
PubChem CID123975434
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-tert-butyl-4,6-dihydroindol-5-imine
SMILES[H]/N=C1\CC=C2N=CC(C(C)(C)C)=C2C1
InChIInChI=1S/C12H16N2/c1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h5,7,13H,4,6H2,1-3H3/b13-8+
InChIKeyQGYTZIQHDOJRBV-MDWZMJQESA-N
XLogP3.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dihydroindol-4-imine
CID 57269353
2-tert-butyl-4H-indol-6-amine
CID 67269509
5-tert-butyl-4H-indol-6-amine
CID 67269998
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
(7,7a-Dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine
CID 123305691
5-Tert-butyl-4,5-dihydroindol-6-imine
CID 123798017
2-Tert-butyl-4,5-dihydroindol-6-imine
CID 123812386
(2E)-2-[(4Z)-4-ethylidene-2-methyl-3H-pyrrol-5-ylidene]ethanimine
CID 141785806
2-(3,4-Dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine
CID 144816219
5-(3,4-Dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
CID 144816350
2-(3,4-Dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
CID 144816457
2,3-Dimethylpyrrolo[2,3-g][1]benzazepine
CID 148247499

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,6-dihydroindol-5-imine?
The IUPAC name of 3-tert-butyl-4,6-dihydroindol-5-imine (CID 123975434) is 3-tert-butyl-4,6-dihydroindol-5-imine.
What is the SMILES notation for 3-tert-butyl-4,6-dihydroindol-5-imine?
The canonical SMILES for 3-tert-butyl-4,6-dihydroindol-5-imine is [H]/N=C1\CC=C2N=CC(C(C)(C)C)=C2C1.
What is the InChIKey of 3-tert-butyl-4,6-dihydroindol-5-imine?
The InChIKey is QGYTZIQHDOJRBV-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h5,7,13H,4,6H2,1-3H3/b13-8+.
What are the key properties of 3-tert-butyl-4,6-dihydroindol-5-imine?
3-tert-butyl-4,6-dihydroindol-5-imine has a molecular weight of 188.27 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,6-dihydroindol-5-imine is sourced from PubChem (CID 123975434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).