ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine

C12H20N2 — CID 142227325

IUPACethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine
SMILESC/C=C(\C=C1/N=CC=C1C)NC.CC
InChIInChI=1S/C10H14N2.C2H6/c1-4-9(11-3)7-10-8(2)5-6-12-10;1-2/h4-7,11H,1-3H3;1-2H3/b9-4+,10-7-;
InChIKeyOFLZTVJXJDVMKJ-IIEFBHPGSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds2

About ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine

ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine (PubChem CID 142227325) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine.

Molecular Properties

Compound Nameethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine
PubChem CID142227325
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine
SMILESC/C=C(\C=C1/N=CC=C1C)NC.CC
InChIInChI=1S/C10H14N2.C2H6/c1-4-9(11-3)7-10-8(2)5-6-12-10;1-2/h4-7,11H,1-3H3;1-2H3/b9-4+,10-7-;
InChIKeyOFLZTVJXJDVMKJ-IIEFBHPGSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine?
The IUPAC name of ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine (CID 142227325) is ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine.
What is the SMILES notation for ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine?
The canonical SMILES for ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine is C/C=C(\C=C1/N=CC=C1C)NC.CC.
What is the InChIKey of ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine?
The InChIKey is OFLZTVJXJDVMKJ-IIEFBHPGSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-4-9(11-3)7-10-8(2)5-6-12-10;1-2/h4-7,11H,1-3H3;1-2H3/b9-4+,10-7-;.
What are the key properties of ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine?
ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine has a molecular weight of 192.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,1Z)-N-methyl-1-(3-methylpyrrol-2-ylidene)but-2-en-2-amine is sourced from PubChem (CID 142227325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).