N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine

C17H24N2O — CID 107235527

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1c(CNCC2CCCCO2)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-13-15-8-3-4-9-16(15)19(2)17(13)12-18-11-14-7-5-6-10-20-14/h3-4,8-9,14,18H,5-7,10-12H2,1-2H3
InChIKeyFYDYMGXWTJFXJP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.15
Rot. Bonds4

About N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 107235527) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID107235527
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1c(CNCC2CCCCO2)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-13-15-8-3-4-9-16(15)19(2)17(13)12-18-11-14-7-5-6-10-20-14/h3-4,8-9,14,18H,5-7,10-12H2,1-2H3
InChIKeyFYDYMGXWTJFXJP-UHFFFAOYSA-N
XLogP3.15
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 107235935
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol
CID 107234607
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(oxolan-2-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 45201297
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234683

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine (CID 107235527) is N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1c(CNCC2CCCCO2)n(C)c2ccccc12.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is FYDYMGXWTJFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-15-8-3-4-9-16(15)19(2)17(13)12-18-11-14-7-5-6-10-20-14/h3-4,8-9,14,18H,5-7,10-12H2,1-2H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 107235527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).