5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol

C15H24N2O — CID 82163784

IUPAC5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
SMILESCNCc1ccc2c(c1)CN(CCCCCO)C2
InChIInChI=1S/C15H24N2O/c1-16-10-13-5-6-14-11-17(12-15(14)9-13)7-3-2-4-8-18/h5-6,9,16,18H,2-4,7-8,10-12H2,1H3
InChIKeyVDSQDKRYDMRKRX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds7

About 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol

5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol (PubChem CID 82163784) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
PubChem CID82163784
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
SMILESCNCc1ccc2c(c1)CN(CCCCCO)C2
InChIInChI=1S/C15H24N2O/c1-16-10-13-5-6-14-11-17(12-15(14)9-13)7-3-2-4-8-18/h5-6,9,16,18H,2-4,7-8,10-12H2,1H3
InChIKeyVDSQDKRYDMRKRX-UHFFFAOYSA-N
XLogP1.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
CID 82163795
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol
CID 156689015
4-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82163845
5-(methylaminomethyl)-1,3-dihydroisoindole-2-carbaldehyde
CID 175530808
1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
CID 82163744
3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82163833
5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
CID 110923925
2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82163847
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]methanamine
CID 82163765
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646

Frequently Asked Questions

What is the IUPAC name of 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol?
The IUPAC name of 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol (CID 82163784) is 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol.
What is the SMILES notation for 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol?
The canonical SMILES for 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol is CNCc1ccc2c(c1)CN(CCCCCO)C2.
What is the InChIKey of 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol?
The InChIKey is VDSQDKRYDMRKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-10-13-5-6-14-11-17(12-15(14)9-13)7-3-2-4-8-18/h5-6,9,16,18H,2-4,7-8,10-12H2,1H3.
What are the key properties of 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol?
5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol is sourced from PubChem (CID 82163784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).