[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine

C16H22N2 — CID 112740240

IUPAC[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
SMILESNCC1(N2Cc3ccccc3C2)CCCC2CC21
InChIInChI=1S/C16H22N2/c17-11-16(7-3-6-12-8-15(12)16)18-9-13-4-1-2-5-14(13)10-18/h1-2,4-5,12,15H,3,6-11,17H2
InChIKeyQDJIGTGOMOOBFT-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.52
Rot. Bonds2

About [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine

[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine (PubChem CID 112740240) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
PubChem CID112740240
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
SMILESNCC1(N2Cc3ccccc3C2)CCCC2CC21
InChIInChI=1S/C16H22N2/c17-11-16(7-3-6-12-8-15(12)16)18-9-13-4-1-2-5-14(13)10-18/h1-2,4-5,12,15H,3,6-11,17H2
InChIKeyQDJIGTGOMOOBFT-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
CID 112740237
[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine
CID 114240547
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
CID 65044746
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
CID 65087911
[4-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cycloheptyl]methanamine
CID 65085146
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
[3,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 64745260
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine
CID 82752059
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
The IUPAC name of [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine (CID 112740240) is [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine.
What is the SMILES notation for [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
The canonical SMILES for [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine is NCC1(N2Cc3ccccc3C2)CCCC2CC21.
What is the InChIKey of [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
The InChIKey is QDJIGTGOMOOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-11-16(7-3-6-12-8-15(12)16)18-9-13-4-1-2-5-14(13)10-18/h1-2,4-5,12,15H,3,6-11,17H2.
What are the key properties of [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine is sourced from PubChem (CID 112740240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).