2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine

C11H16N2 — CID 142245949

IUPAC2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine
SMILESC=C1C2=CCCC=C2CN1CCN
InChIInChI=1S/C11H16N2/c1-9-11-5-3-2-4-10(11)8-13(9)7-6-12/h4-5H,1-3,6-8,12H2
InChIKeyCGOFSQRTWFHPPA-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.42
Rot. Bonds2

About 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine

2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine (PubChem CID 142245949) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine
PubChem CID142245949
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine
SMILESC=C1C2=CCCC=C2CN1CCN
InChIInChI=1S/C11H16N2/c1-9-11-5-3-2-4-10(11)8-13(9)7-6-12/h4-5H,1-3,6-8,12H2
InChIKeyCGOFSQRTWFHPPA-UHFFFAOYSA-N
XLogP1.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 145542670
N-vinyltetrahydropyrrolopyridine
CID 129785811
7-Aminotetrahydroindolizine
CID 129827951
6-Methyleneindoline
CID 146681435
4-[(4-Ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111088
4-(Pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)
CID 58945672
1-(4-Aminocyclohexa-1,5-dien-1-yl)-2,3,7,7a-tetrahydroindol-5-amine
CID 66635764
1-Tert-butyl-2,4-dihydroindol-5-amine
CID 67269974
2-Methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
CID 67976422
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]ethanamine
CID 68019176
2,5-dihydro-1H-cyclopenta[b]pyridin-3-amine
CID 68160126
2-(1,2-Dihydropyridin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 70334328

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine?
The IUPAC name of 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine (CID 142245949) is 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine?
The canonical SMILES for 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine is C=C1C2=CCCC=C2CN1CCN.
What is the InChIKey of 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine?
The InChIKey is CGOFSQRTWFHPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-11-5-3-2-4-10(11)8-13(9)7-6-12/h4-5H,1-3,6-8,12H2.
What are the key properties of 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine?
2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine has a molecular weight of 176.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine is sourced from PubChem (CID 142245949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).