1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine

C20H21N3O — CID 165076117

IUPAC1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc2ccccc2[nH]1.O=Cc1cc2ccccc2[nH]1
InChIInChI=1S/C11H14N2.C9H7NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12-10;11-6-8-5-7-3-1-2-4-9(7)10-8/h3-7,12H,8H2,1-2H3;1-6,10H
InChIKeyUIFPOPWIOCQAAD-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.21
Rot. Bonds3

About 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine

1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine (PubChem CID 165076117) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
PubChem CID165076117
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc2ccccc2[nH]1.O=Cc1cc2ccccc2[nH]1
InChIInChI=1S/C11H14N2.C9H7NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12-10;11-6-8-5-7-3-1-2-4-9(7)10-8/h3-7,12H,8H2,1-2H3;1-6,10H
InChIKeyUIFPOPWIOCQAAD-UHFFFAOYSA-N
XLogP4.21
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
CID 158279804
dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
CID 174598313
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
CID 173052004
N-(1H-indol-2-ylmethylideneamino)-N-methylmethanamine
CID 137238408
N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
CID 136951952
N-(1H-indol-2-ylmethyl)formamide
CID 54534530
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
(2S)-3-(1H-indol-2-yl)-2-(methylamino)propanal
CID 135189875
2-[(dimethylamino)methyl]-1H-indol-4-amine
CID 84662202
2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
CID 111087914
4-(1H-indol-2-yl)butan-2-one
CID 10954278

Frequently Asked Questions

What is the IUPAC name of 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine (CID 165076117) is 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1cc2ccccc2[nH]1.O=Cc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is UIFPOPWIOCQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C9H7NO/c1-13(2)8-10-7-9-5-3-4-6-11(9)12-10;11-6-8-5-7-3-1-2-4-9(7)10-8/h3-7,12H,8H2,1-2H3;1-6,10H.
What are the key properties of 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine?
1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 319.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 165076117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).