(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine

C11H17N3 — CID 143342843

IUPAC(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine
SMILESC=CC(/C=C(/C)N(C)C)=N\C=C\N=C
InChIInChI=1S/C11H17N3/c1-6-11(13-8-7-12-3)9-10(2)14(4)5/h6-9H,1,3H2,2,4-5H3/b8-7+,10-9-,13-11+
InChIKeyOONUCIPYCOZDRA-UGGNJXSJSA-N
MW191.28 g/mol
LogP2.25
Rot. Bonds5

About (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine

(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine (PubChem CID 143342843) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine
PubChem CID143342843
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine
SMILESC=CC(/C=C(/C)N(C)C)=N\C=C\N=C
InChIInChI=1S/C11H17N3/c1-6-11(13-8-7-12-3)9-10(2)14(4)5/h6-9H,1,3H2,2,4-5H3/b8-7+,10-9-,13-11+
InChIKeyOONUCIPYCOZDRA-UGGNJXSJSA-N
XLogP2.25
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
CID 146426453
(2Z,4Z)-N-ethyl-N-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
CID 134185502
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 178001749
N'-ethenyl-N,N-dimethylprop-2-enimidamide
CID 143598460
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
N,N-dimethylethanamine;N-[(Z)-prop-1-enyl]methanimine
CID 143693608
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
CID 177175992
(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine
CID 178005265
N-[(Z)-2-[amino(methyl)amino]ethenyl]methanimine
CID 143890415
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine?
The IUPAC name of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine (CID 143342843) is (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine.
What is the SMILES notation for (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine?
The canonical SMILES for (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine is C=CC(/C=C(/C)N(C)C)=N\C=C\N=C.
What is the InChIKey of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine?
The InChIKey is OONUCIPYCOZDRA-UGGNJXSJSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-11(13-8-7-12-3)9-10(2)14(4)5/h6-9H,1,3H2,2,4-5H3/b8-7+,10-9-,13-11+.
What are the key properties of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine?
(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine is sourced from PubChem (CID 143342843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).