2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid

C18H27NO2 — CID 143121056

IUPAC2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid
SMILESCCC(=O)O.CCC1=C(CCN(C)C)Cc2ccccc21
InChIInChI=1S/C15H21N.C3H6O2/c1-4-14-13(9-10-16(2)3)11-12-7-5-6-8-15(12)14;1-2-3(4)5/h5-8H,4,9-11H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyVCWSKMUGVDKFDP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds5

About 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid

2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid (PubChem CID 143121056) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid
PubChem CID143121056
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid
SMILESCCC(=O)O.CCC1=C(CCN(C)C)Cc2ccccc21
InChIInChI=1S/C15H21N.C3H6O2/c1-4-14-13(9-10-16(2)3)11-12-7-5-6-8-15(12)14;1-2-3(4)5/h5-8H,4,9-11H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyVCWSKMUGVDKFDP-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluorene;propanoic acid
CID 67831567
ethane;9H-fluorene;propanoic acid
CID 90836645
N,N-dimethyl-2-[3-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-1H-inden-2-yl]ethanamine
CID 131668020
[4-butoxy-3-[2-[2-(dimethylamino)ethyl]-3H-inden-1-yl]phenyl] acetate
CID 66772085
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
1-(3-chloro-1H-inden-2-yl)-3-(dimethylamino)propan-1-one
CID 170859460
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
8,9-dibutyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 102005238
acetic acid;azane;9H-fluorene
CID 174966259
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
2-ethenyl-3-ethyl-1H-indene
CID 142569795
N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide
CID 11110049

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid?
The IUPAC name of 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid (CID 143121056) is 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid.
What is the SMILES notation for 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid?
The canonical SMILES for 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid is CCC(=O)O.CCC1=C(CCN(C)C)Cc2ccccc21.
What is the InChIKey of 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid?
The InChIKey is VCWSKMUGVDKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C3H6O2/c1-4-14-13(9-10-16(2)3)11-12-7-5-6-8-15(12)14;1-2-3(4)5/h5-8H,4,9-11H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid?
2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1H-inden-2-yl)-N,N-dimethylethanamine;propanoic acid is sourced from PubChem (CID 143121056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).