6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine

C13H21N3 — CID 177040443

IUPAC6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine
SMILESCCC/C=C(C)/N=c1\cc(C)c(N)cn1C
InChIInChI=1S/C13H21N3/c1-5-6-7-11(3)15-13-8-10(2)12(14)9-16(13)4/h7-9H,5-6,14H2,1-4H3/b11-7+,15-13+
InChIKeyNTOMKJWOHHMTJT-IGTWKLTNSA-N
MW219.33 g/mol
LogP2.52
Rot. Bonds3

About 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine

6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine (PubChem CID 177040443) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine
PubChem CID177040443
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine
SMILESCCC/C=C(C)/N=c1\cc(C)c(N)cn1C
InChIInChI=1S/C13H21N3/c1-5-6-7-11(3)15-13-8-10(2)12(14)9-16(13)4/h7-9H,5-6,14H2,1-4H3/b11-7+,15-13+
InChIKeyNTOMKJWOHHMTJT-IGTWKLTNSA-N
XLogP2.52
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methyl-6-[(E)-pent-1-enyl]iminopyridin-3-amine
CID 177040741
lithium N,N,2,4-tetramethyl-3H-pyridin-3-id-6-amine
CID 134971132
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
1,4,5-Trimethylpyridin-2-imine
CID 89231210
2-Ethyl-2,7-dimethylpyrimido[1,2-a]azocine
CID 91186655
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
3-Hept-5-en-2-ylidene-4-methylpyrazin-2-amine
CID 123804231
(5Z,6E)-5-(dimethylaminomethylidene)-6-ethylidenepyridin-2-amine
CID 129301168
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine?
The IUPAC name of 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine (CID 177040443) is 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine.
What is the SMILES notation for 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine?
The canonical SMILES for 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine is CCC/C=C(C)/N=c1\cc(C)c(N)cn1C.
What is the InChIKey of 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine?
The InChIKey is NTOMKJWOHHMTJT-IGTWKLTNSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-6-7-11(3)15-13-8-10(2)12(14)9-16(13)4/h7-9H,5-6,14H2,1-4H3/b11-7+,15-13+.
What are the key properties of 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine?
6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hex-2-en-2-yl]imino-1,4-dimethylpyridin-3-amine is sourced from PubChem (CID 177040443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).