6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane

C12H18N2 — CID 176696462

IUPAC6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane
SMILESC=C/C=C\c1ncc(N)cc1C.CC
InChIInChI=1S/C10H12N2.C2H6/c1-3-4-5-10-8(2)6-9(11)7-12-10;1-2/h3-7H,1,11H2,2H3;1-2H3/b5-4-;
InChIKeyIGVIAXDGTOADQA-MKWAYWHRSA-N
MW190.29 g/mol
LogP3.20
Rot. Bonds2

About 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane

6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane (PubChem CID 176696462) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane
PubChem CID176696462
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane
SMILESC=C/C=C\c1ncc(N)cc1C.CC
InChIInChI=1S/C10H12N2.C2H6/c1-3-4-5-10-8(2)6-9(11)7-12-10;1-2/h3-7H,1,11H2,2H3;1-2H3/b5-4-;
InChIKeyIGVIAXDGTOADQA-MKWAYWHRSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine
CID 169476998
5-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 57416573
[2-[(1Z)-buta-1,3-dienyl]-5-methyl-3-pyridinyl]methanolate
CID 144589862
5-buta-1,3-dienyl-2,3-dimethylpyridine
CID 134859685
3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
CID 143845327
6-(5-amino-2-pyridinyl)-5-methylpyridin-3-amine
CID 66662716
5-methyl-6-methylsulfanylpyridin-3-amine
CID 62476915
6-(4-bromobut-1-ynyl)-5-methylpyridin-3-amine
CID 170465736
2-[(1Z)-buta-1,3-dienyl]-3-methyl-5-propan-2-ylfuran;ethane
CID 170578717
3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine
CID 169463294
2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine
CID 169475189
3-methyl-2-N-propylpyridine-2,5-diamine
CID 62478048

Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane (CID 176696462) is 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane is C=C/C=C\c1ncc(N)cc1C.CC.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane?
The InChIKey is IGVIAXDGTOADQA-MKWAYWHRSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-3-4-5-10-8(2)6-9(11)7-12-10;1-2/h3-7H,1,11H2,2H3;1-2H3/b5-4-;.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane?
6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane has a molecular weight of 190.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane is sourced from PubChem (CID 176696462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).