2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol

C15H24N2O — CID 64786644

IUPAC2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCN1Cc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-15(16,12-18)8-4-5-9-17-10-13-6-2-3-7-14(13)11-17/h2-3,6-7,18H,4-5,8-12,16H2,1H3
InChIKeyLFCYQSHFMWQLKR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds6

About 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol

2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol (PubChem CID 64786644) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
PubChem CID64786644
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCN1Cc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-15(16,12-18)8-4-5-9-17-10-13-6-2-3-7-14(13)11-17/h2-3,6-7,18H,4-5,8-12,16H2,1H3
InChIKeyLFCYQSHFMWQLKR-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-amino-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexan-1-ol
CID 64811060
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64786440
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-ol
CID 64797597
2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide
CID 62231177
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
CID 63152637
4-(1,3-dihydroisoindol-2-yl)butan-1-amine
CID 62205174
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161
5-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 62229962
2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol
CID 64788187

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol (CID 64786644) is 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol is CC(N)(CO)CCCCN1Cc2ccccc2C1.
What is the InChIKey of 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol?
The InChIKey is LFCYQSHFMWQLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(16,12-18)8-4-5-9-17-10-13-6-2-3-7-14(13)11-17/h2-3,6-7,18H,4-5,8-12,16H2,1H3.
What are the key properties of 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol?
2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,3-dihydroisoindol-2-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 64786644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).