N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine

C17H26N2 — CID 54806175

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
SMILESCN(CCN1CCc2ccccc21)C1CCCCC1
InChIInChI=1S/C17H26N2/c1-18(16-8-3-2-4-9-16)13-14-19-12-11-15-7-5-6-10-17(15)19/h5-7,10,16H,2-4,8-9,11-14H2,1H3
InChIKeyCMFOTGQRCMDDOP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine

N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine (PubChem CID 54806175) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
PubChem CID54806175
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
SMILESCN(CCN1CCc2ccccc21)C1CCCCC1
InChIInChI=1S/C17H26N2/c1-18(16-8-3-2-4-9-16)13-14-19-12-11-15-7-5-6-10-17(15)19/h5-7,10,16H,2-4,8-9,11-14H2,1H3
InChIKeyCMFOTGQRCMDDOP-UHFFFAOYSA-N
XLogP3.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methyl-1-(propyl-λ3-iodanylidene)ethanamine
CID 143815399
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-butyl-2,3-dihydroindole
CID 4167209
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine (CID 54806175) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine is CN(CCN1CCc2ccccc21)C1CCCCC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine?
The InChIKey is CMFOTGQRCMDDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18(16-8-3-2-4-9-16)13-14-19-12-11-15-7-5-6-10-17(15)19/h5-7,10,16H,2-4,8-9,11-14H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine has a molecular weight of 258.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 54806175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).