2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine

C17H28N2 — CID 43130428

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1c2ccccc2CC1C
InChIInChI=1S/C17H28N2/c1-3-4-5-6-10-16(13-18)19-14(2)12-15-9-7-8-11-17(15)19/h7-9,11,14,16H,3-6,10,12-13,18H2,1-2H3
InChIKeyZFMXABCQTHAFLC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.74
Rot. Bonds7

About 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine

2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine (PubChem CID 43130428) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
PubChem CID43130428
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1c2ccccc2CC1C
InChIInChI=1S/C17H28N2/c1-3-4-5-6-10-16(13-18)19-14(2)12-15-9-7-8-11-17(15)19/h7-9,11,14,16H,3-6,10,12-13,18H2,1-2H3
InChIKeyZFMXABCQTHAFLC-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 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 ≤ 53.74
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

2-(2-methyl-2,3-dihydroindol-1-yl)hexan-1-amine
CID 114993614
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-amine
CID 63466877
2-cyclopentyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 114999984
2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
CID 43130422
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pentan-1-amine
CID 65228439
N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 62425682
1-dodecan-6-yl-2,3-dihydroindole
CID 139359404
2-(2-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425147
2-(5-bromothiophen-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 24703848
2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 43184711
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine (CID 43130428) is 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine is CCCCCCC(CN)N1c2ccccc2CC1C.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine?
The InChIKey is ZFMXABCQTHAFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-5-6-10-16(13-18)19-14(2)12-15-9-7-8-11-17(15)19/h7-9,11,14,16H,3-6,10,12-13,18H2,1-2H3.
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine?
2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine is sourced from PubChem (CID 43130428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).