N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine

C12H16N2 — CID 119082195

IUPACN,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
SMILESCc1c(CN(C)C)[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-9-10-6-4-5-7-11(10)13-12(9)8-14(2)3/h4-7,13H,8H2,1-3H3
InChIKeyCOSLMFQLEJRIML-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.54
Rot. Bonds2

About N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine

N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine (PubChem CID 119082195) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
PubChem CID119082195
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
SMILESCc1c(CN(C)C)[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-9-10-6-4-5-7-11(10)13-12(9)8-14(2)3/h4-7,13H,8H2,1-3H3
InChIKeyCOSLMFQLEJRIML-UHFFFAOYSA-N
XLogP2.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56703217
2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol
CID 141350566
N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72838254
N-methyl-2-(methylamino)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridine-3-carboxamide
CID 56756856
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432
butane;2,3-dimethyl-1H-indole
CID 143059445
3-[[acetyl(methyl)amino]methyl]-4-amino-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]benzamide
CID 70145463
1-[(3,4-dimethoxyphenyl)methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]propan-2-ol
CID 46962119
N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126426672
1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 125440210
3-(6-amino-3-pyridinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]prop-2-enamide
CID 73301288

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine (CID 119082195) is N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine is Cc1c(CN(C)C)[nH]c2ccccc12.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine?
The InChIKey is COSLMFQLEJRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-10-6-4-5-7-11(10)13-12(9)8-14(2)3/h4-7,13H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine?
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 119082195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).