1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole

C14H20N4 — CID 141240555

IUPAC1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole
SMILESCC(CN=[N+]=[N-])C(C)(C)N1CCc2ccccc21
InChIInChI=1S/C14H20N4/c1-11(10-16-17-15)14(2,3)18-9-8-12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3
InChIKeyFZSFFPYYYQCOKB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole

1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole (PubChem CID 141240555) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole
PubChem CID141240555
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole
SMILESCC(CN=[N+]=[N-])C(C)(C)N1CCc2ccccc21
InChIInChI=1S/C14H20N4/c1-11(10-16-17-15)14(2,3)18-9-8-12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3
InChIKeyFZSFFPYYYQCOKB-UHFFFAOYSA-N
XLogP3.77
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-2,3-dihydroindole
CID 54253401
2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-cyclopropyl-2-(2,3-dihydroindol-1-yl)butan-1-amine
CID 64919959
3-azido-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 166010085
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
CID 82116491
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
CID 43080726
1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine
CID 165107586
1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235

Frequently Asked Questions

What is the IUPAC name of 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole (CID 141240555) is 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole is CC(CN=[N+]=[N-])C(C)(C)N1CCc2ccccc21.
What is the InChIKey of 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole?
The InChIKey is FZSFFPYYYQCOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(10-16-17-15)14(2,3)18-9-8-12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole?
1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole has a molecular weight of 244.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 141240555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).