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

C12H16N2 — CID 123798017

IUPAC5-tert-butyl-4,5-dihydroindol-6-imine
SMILES[H]/N=C1\C=C2N=CC=C2CC1C(C)(C)C
InChIInChI=1S/C12H16N2/c1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13/h4-5,7,9,13H,6H2,1-3H3/b13-10+
InChIKeyNDPKMJUHJNSHBK-JLHYYAGUSA-N
MW188.27 g/mol
LogP2.97
Rot. Bonds

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

5-tert-butyl-4,5-dihydroindol-6-imine (PubChem CID 123798017) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-tert-butyl-4,5-dihydroindol-6-imine.

Molecular Properties

Compound Name5-tert-butyl-4,5-dihydroindol-6-imine
PubChem CID123798017
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-tert-butyl-4,5-dihydroindol-6-imine
SMILES[H]/N=C1\C=C2N=CC=C2CC1C(C)(C)C
InChIInChI=1S/C12H16N2/c1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13/h4-5,7,9,13H,6H2,1-3H3/b13-10+
InChIKeyNDPKMJUHJNSHBK-JLHYYAGUSA-N
XLogP2.97
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 ≤ 52.97
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

4,6,7,7a-Tetrahydropyrrolo[2,3-f]indole
CID 57008412
5-tert-butyl-4H-indol-6-amine
CID 67269998
(7,7a-Dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine
CID 123305691
2-Tert-butyl-4,5-dihydroindol-6-imine
CID 123812386
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
(6E,8E,10E)-5,5,11,11a-tetramethyl-4aH-cyclonona[b]pyridin-9-amine
CID 137504124
2-(3,4-Dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
CID 144816457
1-[2-(Ethylideneamino)-3-methyl-4-propan-2-ylcyclohexa-1,5-dien-1-yl]ethanimine
CID 169646319
N-[(1E,7E)-5-ethyl-8-methanimidoyl-3,3-dimethylcycloocta-1,5,7-trien-1-yl]-2,3-dimethylbutan-1-imine
CID 155589754

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4,5-dihydroindol-6-imine?
The IUPAC name of 5-tert-butyl-4,5-dihydroindol-6-imine (CID 123798017) is 5-tert-butyl-4,5-dihydroindol-6-imine.
What is the SMILES notation for 5-tert-butyl-4,5-dihydroindol-6-imine?
The canonical SMILES for 5-tert-butyl-4,5-dihydroindol-6-imine is [H]/N=C1\C=C2N=CC=C2CC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4,5-dihydroindol-6-imine?
The InChIKey is NDPKMJUHJNSHBK-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)9-6-8-4-5-14-11(8)7-10(9)13/h4-5,7,9,13H,6H2,1-3H3/b13-10+.
What are the key properties of 5-tert-butyl-4,5-dihydroindol-6-imine?
5-tert-butyl-4,5-dihydroindol-6-imine has a molecular weight of 188.27 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4,5-dihydroindol-6-imine is sourced from PubChem (CID 123798017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).