1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine

C13H18N2 — CID 84670912

IUPAC1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine
SMILESCCN1Cc2ccccc2C1C1(N)CC1
InChIInChI=1S/C13H18N2/c1-2-15-9-10-5-3-4-6-11(10)12(15)13(14)7-8-13/h3-6,12H,2,7-9,14H2,1H3
InChIKeyGQPLHILBLVBRBN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.05
Rot. Bonds2

About 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine

1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine (PubChem CID 84670912) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine
PubChem CID84670912
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine
SMILESCCN1Cc2ccccc2C1C1(N)CC1
InChIInChI=1S/C13H18N2/c1-2-15-9-10-5-3-4-6-11(10)12(15)13(14)7-8-13/h3-6,12H,2,7-9,14H2,1H3
InChIKeyGQPLHILBLVBRBN-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

12-ethyl-9,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 54209390
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CID 56971515
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
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[2-(3-methoxypropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545280
1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 142148353
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457312
[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545249
ethyl 1-methyl-1,3-dihydroisoindole-2-carboxylate
CID 126758255
1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine (CID 84670912) is 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine is CCN1Cc2ccccc2C1C1(N)CC1.
What is the InChIKey of 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine?
The InChIKey is GQPLHILBLVBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-15-9-10-5-3-4-6-11(10)12(15)13(14)7-8-13/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine?
1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-dihydroisoindol-1-yl)cyclopropan-1-amine is sourced from PubChem (CID 84670912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).