1-indol-1-yl-N,N-dimethylpropan-2-amine

C13H18N2 — CID 154694251

IUPAC1-indol-1-yl-N,N-dimethylpropan-2-amine
SMILESCC(Cn1ccc2ccccc21)N(C)C
InChIInChI=1S/C13H18N2/c1-11(14(2)3)10-15-9-8-12-6-4-5-7-13(12)15/h4-9,11H,10H2,1-3H3
InChIKeySKVBDYFAWYZCMF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.59
Rot. Bonds3

About 1-indol-1-yl-N,N-dimethylpropan-2-amine

1-indol-1-yl-N,N-dimethylpropan-2-amine (PubChem CID 154694251) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-indol-1-yl-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-indol-1-yl-N,N-dimethylpropan-2-amine
PubChem CID154694251
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-indol-1-yl-N,N-dimethylpropan-2-amine
SMILESCC(Cn1ccc2ccccc21)N(C)C
InChIInChI=1S/C13H18N2/c1-11(14(2)3)10-15-9-8-12-6-4-5-7-13(12)15/h4-9,11H,10H2,1-3H3
InChIKeySKVBDYFAWYZCMF-UHFFFAOYSA-N
XLogP2.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-indol-1-ylpropan-2-amine
CID 20806570
(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
CID 57060481
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
1-ethylindole;propane
CID 91144409
3-indol-1-yl-2-methylpropanamide
CID 63811423
2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
CID 119209301
[1-[(2R)-2-(dimethylamino)propyl]indol-5-yl] hydrogen sulfate
CID 178146608
1-[(2S)-butan-2-yl]indole
CID 124507288
1-amino-3-indol-1-ylpropan-2-ol
CID 66799372
(2R)-1-amino-3-indol-1-ylpropan-2-ol
CID 59762071
acetonitrile;1-ethylindole
CID 91050746

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-indol-1-yl-N,N-dimethylpropan-2-amine (CID 154694251) is 1-indol-1-yl-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-indol-1-yl-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-indol-1-yl-N,N-dimethylpropan-2-amine is CC(Cn1ccc2ccccc21)N(C)C.
What is the InChIKey of 1-indol-1-yl-N,N-dimethylpropan-2-amine?
The InChIKey is SKVBDYFAWYZCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11(14(2)3)10-15-9-8-12-6-4-5-7-13(12)15/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-indol-1-yl-N,N-dimethylpropan-2-amine?
1-indol-1-yl-N,N-dimethylpropan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 154694251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).