4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine

C17H28N2 — CID 62424967

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1c2ccccc2CC1C
InChIInChI=1S/C17H28N2/c1-14(2)13-18-10-6-7-11-19-15(3)12-16-8-4-5-9-17(16)19/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3
InChIKeyRKQMHDGATYEGCP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds7

About 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine

4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 62424967) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID62424967
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1c2ccccc2CC1C
InChIInChI=1S/C17H28N2/c1-14(2)13-18-10-6-7-11-19-15(3)12-16-8-4-5-9-17(16)19/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3
InChIKeyRKQMHDGATYEGCP-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491756
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
2-(methylamino)-4-(2-methyl-2,3-dihydroindol-1-yl)butan-1-ol
CID 64790575
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 62424967) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCN1c2ccccc2CC1C.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is RKQMHDGATYEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)13-18-10-6-7-11-19-15(3)12-16-8-4-5-9-17(16)19/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3.
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62424967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).