1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine

C14H22N2 — CID 91431600

IUPAC1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCCC1=NC2CC=C(C)C=C2C1CN(C)C
InChIInChI=1S/C14H22N2/c1-5-13-12(9-16(3)4)11-8-10(2)6-7-14(11)15-13/h6,8,12,14H,5,7,9H2,1-4H3
InChIKeyFLJBDBVGWXQGAV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine

1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 91431600) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID91431600
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCCC1=NC2CC=C(C)C=C2C1CN(C)C
InChIInChI=1S/C14H22N2/c1-5-13-12(9-16(3)4)11-8-10(2)6-7-14(11)15-13/h6,8,12,14H,5,7,9H2,1-4H3
InChIKeyFLJBDBVGWXQGAV-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Iminimycin A
CID 132599735
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4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
4-Methyl-5-(3-methylbut-1-en-2-yl)-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 56631795
2-methyl-3-propyl-3a,7a-dihydro-3H-indole
CID 59106252
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
CID 90774321
ethane;2-methyl-3a,7a-dihydro-3H-indole
CID 91173425
(4Z)-2-buta-1,3-dienyl-3,5-diethyl-4-propylidene-2,3-dihydropyrrole
CID 123428408
CID 123666862
CID 123666862
2-ethyl-3a,7a-dihydro-3H-indole
CID 124013956
2,3,3,7-Tetramethyl-7,7a-dihydroindole
CID 134605128

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine (CID 91431600) is 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine is CCC1=NC2CC=C(C)C=C2C1CN(C)C.
What is the InChIKey of 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is FLJBDBVGWXQGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-13-12(9-16(3)4)11-8-10(2)6-7-14(11)15-13/h6,8,12,14H,5,7,9H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine?
1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methyl-7,7a-dihydro-3H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 91431600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).