(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine

C12H16N2 — CID 89263436

IUPAC(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine
SMILESC=C/C=c1/ncc(C(C)C)c/c1=C/N
InChIInChI=1S/C12H16N2/c1-4-5-12-10(7-13)6-11(8-14-12)9(2)3/h4-9H,1,13H2,2-3H3/b10-7-,12-5+
InChIKeyBZPSEYQPHJJFRV-RJNOVJKXSA-N
MW188.27 g/mol
LogP0.87
Rot. Bonds2

About (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine

(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine (PubChem CID 89263436) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine
PubChem CID89263436
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine
SMILESC=C/C=c1/ncc(C(C)C)c/c1=C/N
InChIInChI=1S/C12H16N2/c1-4-5-12-10(7-13)6-11(8-14-12)9(2)3/h4-9H,1,13H2,2-3H3/b10-7-,12-5+
InChIKeyBZPSEYQPHJJFRV-RJNOVJKXSA-N
XLogP0.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine?
The IUPAC name of (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine (CID 89263436) is (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine.
What is the SMILES notation for (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine?
The canonical SMILES for (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine is C=C/C=c1/ncc(C(C)C)c/c1=C/N.
What is the InChIKey of (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine?
The InChIKey is BZPSEYQPHJJFRV-RJNOVJKXSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-12-10(7-13)6-11(8-14-12)9(2)3/h4-9H,1,13H2,2-3H3/b10-7-,12-5+.
What are the key properties of (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine?
(Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine has a molecular weight of 188.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(2E)-5-propan-2-yl-2-prop-2-enylidene-3-pyridinylidene]methanamine is sourced from PubChem (CID 89263436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).