N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine

C13H18N2 — CID 103998027

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
SMILESCN(Cc1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C13H18N2/c1-15(13-4-5-13)9-10-2-3-11-7-14-8-12(11)6-10/h2-3,6,13-14H,4-5,7-9H2,1H3
InChIKeyPEWDFLMTXUTAHW-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.88
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine (PubChem CID 103998027) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
PubChem CID103998027
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
SMILESCN(Cc1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C13H18N2/c1-15(13-4-5-13)9-10-2-3-11-7-14-8-12(11)6-10/h2-3,6,13-14H,4-5,7-9H2,1H3
InChIKeyPEWDFLMTXUTAHW-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
CID 103998191
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
CID 113363614
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
CID 103998390
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115150200
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-oxothian-4-amine
CID 75512591

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine (CID 103998027) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine is CN(Cc1ccc2c(c1)CNC2)C1CC1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine?
The InChIKey is PEWDFLMTXUTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-15(13-4-5-13)9-10-2-3-11-7-14-8-12(11)6-10/h2-3,6,13-14H,4-5,7-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine has a molecular weight of 202.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine is sourced from PubChem (CID 103998027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).