1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane

C16H22N2 — CID 145463492

IUPAC1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
SMILESC=C(C)/N=C/c1c(C)c2ccccc2n1C.CC
InChIInChI=1S/C14H16N2.C2H6/c1-10(2)15-9-14-11(3)12-7-5-6-8-13(12)16(14)4;1-2/h5-9H,1H2,2-4H3;1-2H3/b15-9+;
InChIKeyHGKAHIOXDXRGMV-NSPIFIKESA-N
MW242.37 g/mol
LogP4.47
Rot. Bonds2

About 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane

1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane (PubChem CID 145463492) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane.

Molecular Properties

Compound Name1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
PubChem CID145463492
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
SMILESC=C(C)/N=C/c1c(C)c2ccccc2n1C.CC
InChIInChI=1S/C14H16N2.C2H6/c1-10(2)15-9-14-11(3)12-7-5-6-8-13(12)16(14)4;1-2/h5-9H,1H2,2-4H3;1-2H3/b15-9+;
InChIKeyHGKAHIOXDXRGMV-NSPIFIKESA-N
XLogP4.47
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
CID 107236483
ethane;1,2,3-trimethylindole
CID 91590745
3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
CID 134893149
ethane;1-(2-methylphenyl)-N-prop-1-en-2-ylmethanimine
CID 143026526
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
N-(2-ethenyl-1-methylindol-3-yl)methanimine
CID 142955095
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane?
The IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane (CID 145463492) is 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane.
What is the SMILES notation for 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane?
The canonical SMILES for 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane is C=C(C)/N=C/c1c(C)c2ccccc2n1C.CC.
What is the InChIKey of 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane?
The InChIKey is HGKAHIOXDXRGMV-NSPIFIKESA-N. The full InChI is InChI=1S/C14H16N2.C2H6/c1-10(2)15-9-14-11(3)12-7-5-6-8-13(12)16(14)4;1-2/h5-9H,1H2,2-4H3;1-2H3/b15-9+;.
What are the key properties of 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane?
1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane has a molecular weight of 242.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane is sourced from PubChem (CID 145463492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).