2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol

C16H24N2O — CID 115135394

IUPAC2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
SMILESCN(Cc1cn(C)c2ccccc12)CC(C)(C)CO
InChIInChI=1S/C16H24N2O/c1-16(2,12-19)11-17(3)9-13-10-18(4)15-8-6-5-7-14(13)15/h5-8,10,19H,9,11-12H2,1-4H3
InChIKeyKCMDMHTXGMVGSX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.63
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol

2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol (PubChem CID 115135394) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
PubChem CID115135394
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
SMILESCN(Cc1cn(C)c2ccccc12)CC(C)(C)CO
InChIInChI=1S/C16H24N2O/c1-16(2,12-19)11-17(3)9-13-10-18(4)15-8-6-5-7-14(13)15/h5-8,10,19H,9,11-12H2,1-4H3
InChIKeyKCMDMHTXGMVGSX-UHFFFAOYSA-N
XLogP2.63
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 106145375
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
CID 15496455
2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 95143050
2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115124520

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol (CID 115135394) is 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol is CN(Cc1cn(C)c2ccccc12)CC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol?
The InChIKey is KCMDMHTXGMVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,12-19)11-17(3)9-13-10-18(4)15-8-6-5-7-14(13)15/h5-8,10,19H,9,11-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol?
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115135394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).