N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine

C18H29N3 — CID 123395600

IUPACN,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine
SMILESCc1ccc2c(c1)N(CCN1CCCC(N(C)C)C1)CC2
InChIInChI=1S/C18H29N3/c1-15-6-7-16-8-10-21(18(16)13-15)12-11-20-9-4-5-17(14-20)19(2)3/h6-7,13,17H,4-5,8-12,14H2,1-3H3
InChIKeyWRJRIILOLJPNEV-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.38
Rot. Bonds4

About N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine

N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine (PubChem CID 123395600) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine
PubChem CID123395600
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine
SMILESCc1ccc2c(c1)N(CCN1CCCC(N(C)C)C1)CC2
InChIInChI=1S/C18H29N3/c1-15-6-7-16-8-10-21(18(16)13-15)12-11-20-9-4-5-17(14-20)19(2)3/h6-7,13,17H,4-5,8-12,14H2,1-3H3
InChIKeyWRJRIILOLJPNEV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine
CID 142946036
(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 99927697
(3R)-1-(2,5-dimethylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 59886840
1,6-dimethyl-2,3-dihydroindole
CID 59833304
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
CID 54806175
[(3R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-3-yl]methanol
CID 99108244
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
CID 66473733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine (CID 123395600) is N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine is Cc1ccc2c(c1)N(CCN1CCCC(N(C)C)C1)CC2.
What is the InChIKey of N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine?
The InChIKey is WRJRIILOLJPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-6-7-16-8-10-21(18(16)13-15)12-11-20-9-4-5-17(14-20)19(2)3/h6-7,13,17H,4-5,8-12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine?
N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 123395600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).