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

C17H28N2 — CID 62425682

IUPACN-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1c2ccccc2CC1C
InChIInChI=1S/C17H28N2/c1-6-15(12-18-17(3,4)5)19-13(2)11-14-9-7-8-10-16(14)19/h7-10,13,15,18H,6,11-12H2,1-5H3
InChIKeyCREACPPRPFQJMD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds4

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

N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine (PubChem CID 62425682) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
PubChem CID62425682
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1c2ccccc2CC1C
InChIInChI=1S/C17H28N2/c1-6-15(12-18-17(3,4)5)19-13(2)11-14-9-7-8-10-16(14)19/h7-10,13,15,18H,6,11-12H2,1-5H3
InChIKeyCREACPPRPFQJMD-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 83039796
2-(2-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425147
2-(2-methyl-2,3-dihydroindol-1-yl)hexan-1-amine
CID 114993614
2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
CID 43130428
N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
CID 83043122
1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 115474826
2-cyclopentyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 114999984
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
2,3-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 115000661
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461
N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridin-3-amine
CID 82104336

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine (CID 62425682) is N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine is CCC(CNC(C)(C)C)N1c2ccccc2CC1C.
What is the InChIKey of N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine?
The InChIKey is CREACPPRPFQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-15(12-18-17(3,4)5)19-13(2)11-14-9-7-8-10-16(14)19/h7-10,13,15,18H,6,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine?
N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine is sourced from PubChem (CID 62425682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).