1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine

C15H22N2 — CID 55090114

IUPAC1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
SMILESCC(NCCN1Cc2ccccc2C1)C1CC1
InChIInChI=1S/C15H22N2/c1-12(13-6-7-13)16-8-9-17-10-14-4-2-3-5-15(14)11-17/h2-5,12-13,16H,6-11H2,1H3
InChIKeyOEFKWAWDAGNIGS-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.39
Rot. Bonds5

About 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine (PubChem CID 55090114) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
PubChem CID55090114
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
SMILESCC(NCCN1Cc2ccccc2C1)C1CC1
InChIInChI=1S/C15H22N2/c1-12(13-6-7-13)16-8-9-17-10-14-4-2-3-5-15(14)11-17/h2-5,12-13,16H,6-11H2,1H3
InChIKeyOEFKWAWDAGNIGS-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindoline
CID 422478
2-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2,3-dihydro-1-methyl-1H-isoindole
CID 121850
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
1-(2-Methylbenzyl)piperazine
CID 79212
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
N-(2-Cyclopropyl-benzyl)-N-(S)-pyrrolidin-3-yl-isobutyramide
CID 11687843
Allo-Ile-Isoindoline
CID 24784416
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
2-(2-(Diethylamino)ethyl)-isoindoline
CID 52573
(2-Amino-1-phenylethyl)diethylamine
CID 3860307
(2-Amino-2-phenylethyl)diethylamine
CID 4961986

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine (CID 55090114) is 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine is CC(NCCN1Cc2ccccc2C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine?
The InChIKey is OEFKWAWDAGNIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(13-6-7-13)16-8-9-17-10-14-4-2-3-5-15(14)11-17/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 55090114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).