1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol

C15H24N2O — CID 115756799

IUPAC1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H24N2O/c1-3-4-14(18)11-16-10-12-5-6-15-13(9-12)7-8-17(15)2/h5-6,9,14,16,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyDXCOTSVUVVWKPX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.93
Rot. Bonds6

About 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol

1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol (PubChem CID 115756799) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
PubChem CID115756799
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C15H24N2O/c1-3-4-14(18)11-16-10-12-5-6-15-13(9-12)7-8-17(15)2/h5-6,9,14,16,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyDXCOTSVUVVWKPX-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
CID 62097200
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol (CID 115756799) is 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol is CCCC(O)CNCc1ccc2c(c1)CCN2C.
What is the InChIKey of 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol?
The InChIKey is DXCOTSVUVVWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-14(18)11-16-10-12-5-6-15-13(9-12)7-8-17(15)2/h5-6,9,14,16,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol?
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 115756799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).