1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine

C14H18N2 — CID 84783552

IUPAC1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine
SMILESNC1(C23CCCN2Cc2ccccc23)CC1
InChIInChI=1S/C14H18N2/c15-13(7-8-13)14-6-3-9-16(14)10-11-4-1-2-5-12(11)14/h1-2,4-5H,3,6-10,15H2
InChIKeyBZIGELFWFHXTPC-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.98
Rot. Bonds1

About 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine

1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine (PubChem CID 84783552) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine
PubChem CID84783552
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine
SMILESNC1(C23CCCN2Cc2ccccc23)CC1
InChIInChI=1S/C14H18N2/c15-13(7-8-13)14-6-3-9-16(14)10-11-4-1-2-5-12(11)14/h1-2,4-5H,3,6-10,15H2
InChIKeyBZIGELFWFHXTPC-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane
CID 176714450
[2-(azepan-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 54918791
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
(1S)-1-methyl-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 11095109
2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol
CID 105471532
14-pyrimidin-5-yl-9-azapentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,13,15,17,19-heptaene
CID 171919672
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 117274099
10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene
CID 20593971
7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane
CID 159849870
[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 63156873
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine (CID 84783552) is 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine is NC1(C23CCCN2Cc2ccccc23)CC1.
What is the InChIKey of 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine?
The InChIKey is BZIGELFWFHXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-13(7-8-13)14-6-3-9-16(14)10-11-4-1-2-5-12(11)14/h1-2,4-5H,3,6-10,15H2.
What are the key properties of 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine?
1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5-tetrahydropyrrolo[2,1-a]isoindol-9b-yl)cyclopropan-1-amine is sourced from PubChem (CID 84783552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).