(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine

C13H19N3 — CID 143271835

IUPAC(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine
SMILES[H]/N=C/C=C(C=C)/C=C/C=N/C=C(\C)N(C)C
InChIInChI=1S/C13H19N3/c1-5-13(8-9-14)7-6-10-15-11-12(2)16(3)4/h5-11,14H,1H2,2-4H3/b7-6+,12-11+,13-8+,14-9+,15-10+
InChIKeyBUSAITJPJSSSNC-RIXDVLLNSA-N
MW217.32 g/mol
LogP2.80
Rot. Bonds6

About (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine

(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine (PubChem CID 143271835) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine
PubChem CID143271835
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine
SMILES[H]/N=C/C=C(C=C)/C=C/C=N/C=C(\C)N(C)C
InChIInChI=1S/C13H19N3/c1-5-13(8-9-14)7-6-10-15-11-12(2)16(3)4/h5-11,14H,1H2,2-4H3/b7-6+,12-11+,13-8+,14-9+,15-10+
InChIKeyBUSAITJPJSSSNC-RIXDVLLNSA-N
XLogP2.80
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792
hydron;(2E,4E,6E)-3-methylnona-2,4,6,8-tetraen-1-imine
CID 102008019
(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine
CID 90453488
(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
CID 143747479
(1E,4E)-3-(2-iminoethylidene)penta-1,4-diene-1,5-diamine
CID 101185007
(3E)-5-iminopenta-1,3-dien-3-amine
CID 143613476
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(2E,6E)-3-methylocta-2,6-dien-1-imine;prop-1-ene
CID 163243762
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
3-N-ethylidenebut-2-ene-1,3-diimine
CID 91606958
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486

Frequently Asked Questions

What is the IUPAC name of (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine?
The IUPAC name of (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine (CID 143271835) is (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine?
The canonical SMILES for (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine is [H]/N=C/C=C(C=C)/C=C/C=N/C=C(\C)N(C)C.
What is the InChIKey of (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine?
The InChIKey is BUSAITJPJSSSNC-RIXDVLLNSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(8-9-14)7-6-10-15-11-12(2)16(3)4/h5-11,14H,1H2,2-4H3/b7-6+,12-11+,13-8+,14-9+,15-10+.
What are the key properties of (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine?
(E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[[(2E,4E)-4-ethenyl-6-iminohexa-2,4-dienylidene]amino]-N,N-dimethylprop-1-en-2-amine is sourced from PubChem (CID 143271835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).