N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine

C17H19N3 — CID 107234763

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCc1c(CNCc2ccncc2)n(C)c2ccccc12
InChIInChI=1S/C17H19N3/c1-13-15-5-3-4-6-16(15)20(2)17(13)12-19-11-14-7-9-18-10-8-14/h3-10,19H,11-12H2,1-2H3
InChIKeyHJTGKPHYHZBGKQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.17
Rot. Bonds4

About N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 107234763) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID107234763
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCc1c(CNCc2ccncc2)n(C)c2ccccc12
InChIInChI=1S/C17H19N3/c1-13-15-5-3-4-6-16(15)20(2)17(13)12-19-11-14-7-9-18-10-8-14/h3-10,19H,11-12H2,1-2H3
InChIKeyHJTGKPHYHZBGKQ-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Tetrahydro-beta-carboline
CID 107838
Iprindole
CID 21722
Indalpine
CID 44668

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 107234763) is N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine is Cc1c(CNCc2ccncc2)n(C)c2ccccc12.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is HJTGKPHYHZBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-15-5-3-4-6-16(15)20(2)17(13)12-19-11-14-7-9-18-10-8-14/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 107234763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).