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

C17H28N2 — CID 83043122

IUPACN-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCc2ccccc21
InChIInChI=1S/C17H28N2/c1-5-8-15(13-18-17(2,3)4)19-12-11-14-9-6-7-10-16(14)19/h6-7,9-10,15,18H,5,8,11-13H2,1-4H3
InChIKeyOBKHLXHLNWJVBG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.61
Rot. Bonds5

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

N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine (PubChem CID 83043122) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
PubChem CID83043122
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCc2ccccc21
InChIInChI=1S/C17H28N2/c1-5-8-15(13-18-17(2,3)4)19-12-11-14-9-6-7-10-16(14)19/h6-7,9-10,15,18H,5,8,11-13H2,1-4H3
InChIKeyOBKHLXHLNWJVBG-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 83039796
N-tert-butyl-3-(2,3-dihydroindol-1-yl)-2-methylbutan-1-amine
CID 79414718
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpentan-1-amine
CID 83043322
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
1-dodecan-6-yl-2,3-dihydroindole
CID 139359404
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 83042309
N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 62425682
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
1-(1-methoxypropyl)-2,3-dihydroindole
CID 89013403
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
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-2-(2,3-dihydroindol-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine (CID 83043122) is N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1CCc2ccccc21.
What is the InChIKey of N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine?
The InChIKey is OBKHLXHLNWJVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-8-15(13-18-17(2,3)4)19-12-11-14-9-6-7-10-16(14)19/h6-7,9-10,15,18H,5,8,11-13H2,1-4H3.
What are the key properties of N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine?
N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine is sourced from PubChem (CID 83043122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).