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

C15H20N2 — CID 113363614

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
SMILESC=CCN(Cc1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C15H20N2/c1-2-7-17(15-5-6-15)11-12-3-4-13-9-16-10-14(13)8-12/h2-4,8,15-16H,1,5-7,9-11H2
InChIKeyZKBZPWLSNRWMNK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.44
Rot. Bonds5

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

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine (PubChem CID 113363614) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
PubChem CID113363614
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
SMILESC=CCN(Cc1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C15H20N2/c1-2-7-17(15-5-6-15)11-12-3-4-13-9-16-10-14(13)8-12/h2-4,8,15-16H,1,5-7,9-11H2
InChIKeyZKBZPWLSNRWMNK-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.44
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-methylprop-2-en-1-amine
CID 103998409
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
CID 103998191
3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
CID 115563307
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
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
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
CID 103998390
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
CID 103998248
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine (CID 113363614) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine is C=CCN(Cc1ccc2c(c1)CNC2)C1CC1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine?
The InChIKey is ZKBZPWLSNRWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-7-17(15-5-6-15)11-12-3-4-13-9-16-10-14(13)8-12/h2-4,8,15-16H,1,5-7,9-11H2.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine has a molecular weight of 228.34 g/mol, XLogP of 2.44, 5 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-prop-2-enylcyclopropanamine is sourced from PubChem (CID 113363614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).