(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine

C11H16N2 — CID 143707398

IUPAC(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine
SMILESC/C=c1/nccc/c1=C(\C)NCC
InChIInChI=1S/C11H16N2/c1-4-11-10(7-6-8-13-11)9(3)12-5-2/h4,6-8,12H,5H2,1-3H3/b10-9-,11-4+
InChIKeyQRHLCRQZDKYQIU-BFRLWOGPSA-N
MW176.26 g/mol
LogP0.62
Rot. Bonds2

About (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine

(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine (PubChem CID 143707398) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine.

Molecular Properties

Compound Name(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine
PubChem CID143707398
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine
SMILESC/C=c1/nccc/c1=C(\C)NCC
InChIInChI=1S/C11H16N2/c1-4-11-10(7-6-8-13-11)9(3)12-5-2/h4,6-8,12H,5H2,1-3H3/b10-9-,11-4+
InChIKeyQRHLCRQZDKYQIU-BFRLWOGPSA-N
XLogP0.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine?
The IUPAC name of (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine (CID 143707398) is (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine.
What is the SMILES notation for (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine?
The canonical SMILES for (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine is C/C=c1/nccc/c1=C(\C)NCC.
What is the InChIKey of (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine?
The InChIKey is QRHLCRQZDKYQIU-BFRLWOGPSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-11-10(7-6-8-13-11)9(3)12-5-2/h4,6-8,12H,5H2,1-3H3/b10-9-,11-4+.
What are the key properties of (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine?
(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine has a molecular weight of 176.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine is sourced from PubChem (CID 143707398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).