3-(1,3-dihydroisoindol-2-yl)pentan-1-amine

C13H20N2 — CID 62205355

IUPAC3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
SMILESCCC(CCN)N1Cc2ccccc2C1
InChIInChI=1S/C13H20N2/c1-2-13(7-8-14)15-9-11-5-3-4-6-12(11)10-15/h3-6,13H,2,7-10,14H2,1H3
InChIKeyXWEOQXHDRCVETJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds4

About 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine

3-(1,3-dihydroisoindol-2-yl)pentan-1-amine (PubChem CID 62205355) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
PubChem CID62205355
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
SMILESCCC(CCN)N1Cc2ccccc2C1
InChIInChI=1S/C13H20N2/c1-2-13(7-8-14)15-9-11-5-3-4-6-12(11)10-15/h3-6,13H,2,7-10,14H2,1H3
InChIKeyXWEOQXHDRCVETJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)butan-1-ol
CID 53397875
1-(1,3-dihydroisoindol-2-yl)propan-1-ol
CID 145041620
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43329359
2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
CID 83042303
2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine
CID 62204461
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
2-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-amine
CID 62205880
2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
CID 43130422
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
CID 43252177

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine (CID 62205355) is 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine is CCC(CCN)N1Cc2ccccc2C1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine?
The InChIKey is XWEOQXHDRCVETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-13(7-8-14)15-9-11-5-3-4-6-12(11)10-15/h3-6,13H,2,7-10,14H2,1H3.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine?
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)pentan-1-amine is sourced from PubChem (CID 62205355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).