(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine

C11H14N2 — CID 88877690

IUPAC(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine
SMILESC=C/C(C)=c1/nc(C)cc/c1=C/N
InChIInChI=1S/C11H14N2/c1-4-8(2)11-10(7-12)6-5-9(3)13-11/h4-7H,1,12H2,2-3H3/b10-7-,11-8+
InChIKeyGCNITMASBJVMJY-BDLVGCLISA-N
MW174.25 g/mol
LogP0.44
Rot. Bonds1

About (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine

(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine (PubChem CID 88877690) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine
PubChem CID88877690
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine
SMILESC=C/C(C)=c1/nc(C)cc/c1=C/N
InChIInChI=1S/C11H14N2/c1-4-8(2)11-10(7-12)6-5-9(3)13-11/h4-7H,1,12H2,2-3H3/b10-7-,11-8+
InChIKeyGCNITMASBJVMJY-BDLVGCLISA-N
XLogP0.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine?
The IUPAC name of (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine (CID 88877690) is (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine.
What is the SMILES notation for (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine?
The canonical SMILES for (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine is C=C/C(C)=c1/nc(C)cc/c1=C/N.
What is the InChIKey of (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine?
The InChIKey is GCNITMASBJVMJY-BDLVGCLISA-N. The full InChI is InChI=1S/C11H14N2/c1-4-8(2)11-10(7-12)6-5-9(3)13-11/h4-7H,1,12H2,2-3H3/b10-7-,11-8+.
What are the key properties of (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine?
(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine has a molecular weight of 174.25 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine is sourced from PubChem (CID 88877690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).