1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine

C15H20N2O — CID 20646559

IUPAC1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine
SMILESC=C(NC)NCCC1=CCc2ccc(OC)cc21
InChIInChI=1S/C15H20N2O/c1-11(16-2)17-9-8-13-5-4-12-6-7-14(18-3)10-15(12)13/h5-7,10,16-17H,1,4,8-9H2,2-3H3
InChIKeyTXNBOMYPYHNAHN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds6

About 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine

1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine (PubChem CID 20646559) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine
PubChem CID20646559
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine
SMILESC=C(NC)NCCC1=CCc2ccc(OC)cc21
InChIInChI=1S/C15H20N2O/c1-11(16-2)17-9-8-13-5-4-12-6-7-14(18-3)10-15(12)13/h5-7,10,16-17H,1,4,8-9H2,2-3H3
InChIKeyTXNBOMYPYHNAHN-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-methoxy-N-[2-(6-methoxy-3H-inden-1-yl)ethyl]benzamide
CID 154874265
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
CID 123816492
5-(6-methoxy-3H-inden-1-yl)pentan-2-one
CID 158347332
ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
CID 142209991
N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide
CID 18360664
(6R)-3-[2-(6-methoxy-3H-inden-1-yl)ethyl]-6-(methoxymethyl)-1,3-diazinane-2,4-dione
CID 167750401
[8-(2-acetamidoethyl)-5,6-dihydronaphthalen-2-yl] tert-butyl carbonate
CID 118982153
N-[2-(5-fluoro-6-methoxy-3H-inden-1-yl)ethyl]propanamide
CID 54451479
2-(5-methoxy-1,1-dioxo-1-benzothiophen-3-yl)-N-methylethanamine
CID 117195650
2-(6-methoxy-4,4-dimethyl-3H-naphthalen-1-yl)ethanol
CID 86028923
N-[2-[4-[[4-(2-chloroacetyl)piperazin-1-yl]methyl]-6-methoxy-3H-inden-1-yl]ethyl]acetamide
CID 154724431
7-methoxy-3,4-dihydro-2H-isoquinolin-1-one;methyl N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 158702967

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine?
The IUPAC name of 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine (CID 20646559) is 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine is C=C(NC)NCCC1=CCc2ccc(OC)cc21.
What is the InChIKey of 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine?
The InChIKey is TXNBOMYPYHNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(16-2)17-9-8-13-5-4-12-6-7-14(18-3)10-15(12)13/h5-7,10,16-17H,1,4,8-9H2,2-3H3.
What are the key properties of 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine?
1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(6-methoxy-3H-inden-1-yl)ethyl]-1-N-methylethene-1,1-diamine is sourced from PubChem (CID 20646559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).