(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine

C14H21N3 — CID 135160857

IUPAC(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine
SMILESC=C1N=C(C)C=C/C1=N\C=C(/C)C(CC)CN
InChIInChI=1S/C14H21N3/c1-5-13(8-15)10(2)9-16-14-7-6-11(3)17-12(14)4/h6-7,9,13H,4-5,8,15H2,1-3H3/b10-9+,16-14+
InChIKeyNOOXRDMKZDOOOP-WAJBHNFBSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds4

About (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine

(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine (PubChem CID 135160857) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine
PubChem CID135160857
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine
SMILESC=C1N=C(C)C=C/C1=N\C=C(/C)C(CC)CN
InChIInChI=1S/C14H21N3/c1-5-13(8-15)10(2)9-16-14-7-6-11(3)17-12(14)4/h6-7,9,13H,4-5,8,15H2,1-3H3/b10-9+,16-14+
InChIKeyNOOXRDMKZDOOOP-WAJBHNFBSA-N
XLogP2.86
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine?
The IUPAC name of (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine (CID 135160857) is (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine?
The canonical SMILES for (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine is C=C1N=C(C)C=C/C1=N\C=C(/C)C(CC)CN.
What is the InChIKey of (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine?
The InChIKey is NOOXRDMKZDOOOP-WAJBHNFBSA-N. The full InChI is InChI=1S/C14H21N3/c1-5-13(8-15)10(2)9-16-14-7-6-11(3)17-12(14)4/h6-7,9,13H,4-5,8,15H2,1-3H3/b10-9+,16-14+.
What are the key properties of (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine?
(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine is sourced from PubChem (CID 135160857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).