1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol

C15H23N3O — CID 106145243

IUPAC1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H23N3O/c1-15(19,11-18(2)3)10-16-9-12-4-5-14-13(8-12)6-7-17-14/h4-8,16-17,19H,9-11H2,1-3H3
InChIKeyNYGGIKYXFLNWNZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.57
Rot. Bonds6

About 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol

1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol (PubChem CID 106145243) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
PubChem CID106145243
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H23N3O/c1-15(19,11-18(2)3)10-16-9-12-4-5-14-13(8-12)6-7-17-14/h4-8,16-17,19H,9-11H2,1-3H3
InChIKeyNYGGIKYXFLNWNZ-UHFFFAOYSA-N
XLogP1.57
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 102909185
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106144224
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838824
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664
1-(dimethylamino)-3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838837
1-(dimethylamino)-2-methyl-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 103838866
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
CID 103839007
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 102911932

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol (CID 106145243) is 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol?
The InChIKey is NYGGIKYXFLNWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(19,11-18(2)3)10-16-9-12-4-5-14-13(8-12)6-7-17-14/h4-8,16-17,19H,9-11H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol?
1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106145243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).