N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine

C17H28N2 — CID 79414718

IUPACN-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)N1CCc2ccccc21
InChIInChI=1S/C17H28N2/c1-13(12-18-17(3,4)5)14(2)19-11-10-15-8-6-7-9-16(15)19/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyAQABAZLJNIZQQZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds4

About N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine

N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine (PubChem CID 79414718) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
PubChem CID79414718
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)N1CCc2ccccc21
InChIInChI=1S/C17H28N2/c1-13(12-18-17(3,4)5)14(2)19-11-10-15-8-6-7-9-16(15)19/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyAQABAZLJNIZQQZ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
CID 83043122
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
CID 170221823
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
N-[[5-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62425759
2-(2,3-dihydroindol-1-yl)-3-methoxypropan-1-amine
CID 103225380
1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088
N-[2-(2,3-dihydroindol-1-yl)propylsulfinamoyl]-4-(trifluoromethyl)aniline
CID 176928043
1-(1-methoxypropyl)-2,3-dihydroindole
CID 89013403
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
CID 7179244

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine (CID 79414718) is N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine is CC(CNC(C)(C)C)C(C)N1CCc2ccccc21.
What is the InChIKey of N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine?
The InChIKey is AQABAZLJNIZQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(12-18-17(3,4)5)14(2)19-11-10-15-8-6-7-9-16(15)19/h6-9,13-14,18H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine?
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 79414718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).