1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol

C16H25N3O — CID 106145375

IUPAC1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
SMILESCN(C)CC(C)(O)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H25N3O/c1-16(20,12-18(2)3)11-17-9-13-10-19(4)15-8-6-5-7-14(13)15/h5-8,10,17,20H,9,11-12H2,1-4H3
InChIKeyRLNBPTOESMWMOG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.58
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol (PubChem CID 106145375) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
PubChem CID106145375
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
SMILESCN(C)CC(C)(O)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H25N3O/c1-16(20,12-18(2)3)11-17-9-13-10-19(4)15-8-6-5-7-14(13)15/h5-8,10,17,20H,9,11-12H2,1-4H3
InChIKeyRLNBPTOESMWMOG-UHFFFAOYSA-N
XLogP1.58
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol (CID 106145375) is 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol is CN(C)CC(C)(O)CNCc1cn(C)c2ccccc12.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
The InChIKey is RLNBPTOESMWMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(20,12-18(2)3)11-17-9-13-10-19(4)15-8-6-5-7-14(13)15/h5-8,10,17,20H,9,11-12H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol has a molecular weight of 275.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106145375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).