N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine

C18H29N3 — CID 70187420

IUPACN,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine
SMILESCN(C)CCN1C=CC2=CC=C(C3CCN(C)CC3)CC21
InChIInChI=1S/C18H29N3/c1-19(2)12-13-21-11-8-16-4-5-17(14-18(16)21)15-6-9-20(3)10-7-15/h4-5,8,11,15,18H,6-7,9-10,12-14H2,1-3H3
InChIKeyOBRFIUOYGUJMHB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.34
Rot. Bonds4

About N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine

N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine (PubChem CID 70187420) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine
PubChem CID70187420
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine
SMILESCN(C)CCN1C=CC2=CC=C(C3CCN(C)CC3)CC21
InChIInChI=1S/C18H29N3/c1-19(2)12-13-21-11-8-16-4-5-17(14-18(16)21)15-6-9-20(3)10-7-15/h4-5,8,11,15,18H,6-7,9-10,12-14H2,1-3H3
InChIKeyOBRFIUOYGUJMHB-UHFFFAOYSA-N
XLogP2.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine (CID 70187420) is N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine is CN(C)CCN1C=CC2=CC=C(C3CCN(C)CC3)CC21.
What is the InChIKey of N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine?
The InChIKey is OBRFIUOYGUJMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-19(2)12-13-21-11-8-16-4-5-17(14-18(16)21)15-6-9-20(3)10-7-15/h4-5,8,11,15,18H,6-7,9-10,12-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine?
N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)-7,7a-dihydroindol-1-yl]ethanamine is sourced from PubChem (CID 70187420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).