1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide

C15H21BrN2O — CID 23623089

IUPAC1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
SMILESBr.C#CCN(C)C(C)Cc1c[nH]c2ccccc12.O
InChIInChI=1S/C15H18N2.BrH.H2O/c1-4-9-17(3)12(2)10-13-11-16-15-8-6-5-7-14(13)15;;/h1,5-8,11-12,16H,9-10H2,2-3H3;1H;1H2
InChIKeyQUAVVFMILFBUHK-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.42
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide

1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide (PubChem CID 23623089) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
PubChem CID23623089
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
SMILESBr.C#CCN(C)C(C)Cc1c[nH]c2ccccc12.O
InChIInChI=1S/C15H18N2.BrH.H2O/c1-4-9-17(3)12(2)10-13-11-16-15-8-6-5-7-14(13)15;;/h1,5-8,11-12,16H,9-10H2,2-3H3;1H;1H2
InChIKeyQUAVVFMILFBUHK-UHFFFAOYSA-N
XLogP2.42
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
CID 145378179
N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 174489222
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide?
The IUPAC name of 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide (CID 23623089) is 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide is Br.C#CCN(C)C(C)Cc1c[nH]c2ccccc12.O.
What is the InChIKey of 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide?
The InChIKey is QUAVVFMILFBUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.BrH.H2O/c1-4-9-17(3)12(2)10-13-11-16-15-8-6-5-7-14(13)15;;/h1,5-8,11-12,16H,9-10H2,2-3H3;1H;1H2.
What are the key properties of 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide?
1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide has a molecular weight of 325.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide is sourced from PubChem (CID 23623089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).