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

C12H16N2 — CID 123812386

IUPAC2-tert-butyl-4,5-dihydroindol-6-imine
SMILES[H]/N=C1/C=C2N=C(C(C)(C)C)C=C2CC1
InChIInChI=1S/C12H16N2/c1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11/h6-7,13H,4-5H2,1-3H3/b13-9+
InChIKeyMAAWQAAJQKIHSB-UKTHLTGXSA-N
MW188.27 g/mol
LogP3.11
Rot. Bonds

About 2-tert-butyl-4,5-dihydroindol-6-imine

2-tert-butyl-4,5-dihydroindol-6-imine (PubChem CID 123812386) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydroindol-6-imine.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydroindol-6-imine
PubChem CID123812386
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-tert-butyl-4,5-dihydroindol-6-imine
SMILES[H]/N=C1/C=C2N=C(C(C)(C)C)C=C2CC1
InChIInChI=1S/C12H16N2/c1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11/h6-7,13H,4-5H2,1-3H3/b13-9+
InChIKeyMAAWQAAJQKIHSB-UKTHLTGXSA-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

3-Amino-1,4-dimethyl-5h-pyrido[3,4-b]indole
CID 101081692
2,2,3-Trimethyl-4-propylcarbazole
CID 21480324
3,4,4-Trimethylcarbazole
CID 22250977
2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine
CID 58213716
2-tert-butyl-4H-indol-6-amine
CID 67269509
2-tert-butyl-4H-indole
CID 67269557
5-tert-butyl-4H-indol-6-amine
CID 67269998
3-tert-butyl-1-N-[(Z)-pent-2-en-3-yl]cyclohexa-3,5-diene-1,2-diimine
CID 69090791
2-Ethyl-4-methylideneindol-3-amine
CID 88747308
5-Tert-butyl-4,5-dihydroindol-6-imine
CID 123798017
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
2,3,3-Trimethyl-5,6-dihydroindole
CID 130352800

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydroindol-6-imine?
The IUPAC name of 2-tert-butyl-4,5-dihydroindol-6-imine (CID 123812386) is 2-tert-butyl-4,5-dihydroindol-6-imine.
What is the SMILES notation for 2-tert-butyl-4,5-dihydroindol-6-imine?
The canonical SMILES for 2-tert-butyl-4,5-dihydroindol-6-imine is [H]/N=C1/C=C2N=C(C(C)(C)C)C=C2CC1.
What is the InChIKey of 2-tert-butyl-4,5-dihydroindol-6-imine?
The InChIKey is MAAWQAAJQKIHSB-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)11-6-8-4-5-9(13)7-10(8)14-11/h6-7,13H,4-5H2,1-3H3/b13-9+.
What are the key properties of 2-tert-butyl-4,5-dihydroindol-6-imine?
2-tert-butyl-4,5-dihydroindol-6-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 2-tert-butyl-4,5-dihydroindol-6-imine is sourced from PubChem (CID 123812386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).