6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol

C18H30N2O — CID 64789156

IUPAC6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1Cc2ccccc2C1
InChIInChI=1S/C18H30N2O/c1-3-11-19-18(2,15-21)10-6-7-12-20-13-16-8-4-5-9-17(16)14-20/h4-5,8-9,19,21H,3,6-7,10-15H2,1-2H3
InChIKeyJISUWLFLILVIJX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.92
Rot. Bonds9

About 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol

6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64789156) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64789156
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1Cc2ccccc2C1
InChIInChI=1S/C18H30N2O/c1-3-11-19-18(2,15-21)10-6-7-12-20-13-16-8-4-5-9-17(16)14-20/h4-5,8-9,19,21H,3,6-7,10-15H2,1-2H3
InChIKeyJISUWLFLILVIJX-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.92
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-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64786243
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64786440
4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64796687
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butanoic acid
CID 62230995
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
CID 64786644
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol
CID 64788187
5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 62229962
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64789156) is 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN1Cc2ccccc2C1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is JISUWLFLILVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-19-18(2,15-21)10-6-7-12-20-13-16-8-4-5-9-17(16)14-20/h4-5,8-9,19,21H,3,6-7,10-15H2,1-2H3.
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64789156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).