N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine

C13H18N2 — CID 103998409

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C13H18N2/c1-3-6-15(2)10-11-4-5-12-8-14-9-13(12)7-11/h3-5,7,14H,1,6,8-10H2,2H3
InChIKeyCCKRNQQKZBIQHS-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.91
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine (PubChem CID 103998409) 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-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
PubChem CID103998409
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C13H18N2/c1-3-6-15(2)10-11-4-5-12-8-14-9-13(12)7-11/h3-5,7,14H,1,6,8-10H2,2H3
InChIKeyCCKRNQQKZBIQHS-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
CID 113363614
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
CID 103998390
1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine
CID 136555636
2-[[2,3-dihydro-1H-isoindol-5-ylmethyl(methyl)amino]methyl]benzenesulfonamide
CID 167991544
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998007

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine (CID 103998409) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine is C=CCN(C)Cc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine?
The InChIKey is CCKRNQQKZBIQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-6-15(2)10-11-4-5-12-8-14-9-13(12)7-11/h3-5,7,14H,1,6,8-10H2,2H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.91, 4 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-methylprop-2-en-1-amine is sourced from PubChem (CID 103998409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).