N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C18H23N3 — CID 102880182

IUPACN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cncc(C)c1
InChIInChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-6-17-9-16(14(2)19-3)4-5-18(17)21/h4-5,8-11,14,19H,6-7,12H2,1-3H3
InChIKeyPMUWQEFGQHGSPF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.23
Rot. Bonds4

About N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102880182) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102880182
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2Cc1cncc(C)c1
InChIInChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-6-17-9-16(14(2)19-3)4-5-18(17)21/h4-5,8-11,14,19H,6-7,12H2,1-3H3
InChIKeyPMUWQEFGQHGSPF-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Gramine
CID 6890
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
N,N-Diethyltryptamine
CID 6090
1-Methyl-1H-indole-3-ethylamine
CID 23492
5-Methyltryptamine
CID 15760
alpha-Methyl-1H-indole-5-ethanamine
CID 55253543
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 102880182) is N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is CNC(C)c1ccc2c(c1)CCN2Cc1cncc(C)c1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is PMUWQEFGQHGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-6-17-9-16(14(2)19-3)4-5-18(17)21/h4-5,8-11,14,19H,6-7,12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102880182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).