2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine

C16H26N2 — CID 83042303

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)N1Cc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-7-16(11-17-10-4-2)18-12-14-8-5-6-9-15(14)13-18/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3
InChIKeyJKVPGVMFDRXCBW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds7

About 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine

2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine (PubChem CID 83042303) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
PubChem CID83042303
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)N1Cc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-7-16(11-17-10-4-2)18-12-14-8-5-6-9-15(14)13-18/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3
InChIKeyJKVPGVMFDRXCBW-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83054132
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
3-methyl-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63152688
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
CID 114413146
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
CID 62205355
2-(1,3-dihydroisoindol-2-yl)butan-1-ol
CID 53397875
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
2-(3-ethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 83054364
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83042402

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine (CID 83042303) is 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine is CCCNCC(CCC)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine?
The InChIKey is JKVPGVMFDRXCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-7-16(11-17-10-4-2)18-12-14-8-5-6-9-15(14)13-18/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 7 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)-N-propylpentan-1-amine is sourced from PubChem (CID 83042303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).