N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide

C11H19N3 — CID 172597543

IUPACN'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
SMILESC=C(C)C(/C=C(/C)NC)=N\C(C)=N\C
InChIInChI=1S/C11H19N3/c1-8(2)11(7-9(3)12-5)14-10(4)13-6/h7,12H,1H2,2-6H3/b9-7-,13-10+,14-11-
InChIKeyJIHMKMZHMNUQMY-DBRNYMEJSA-N
MW193.29 g/mol
LogP2.17
Rot. Bonds3

About N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide

N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide (PubChem CID 172597543) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
PubChem CID172597543
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
SMILESC=C(C)C(/C=C(/C)NC)=N\C(C)=N\C
InChIInChI=1S/C11H19N3/c1-8(2)11(7-9(3)12-5)14-10(4)13-6/h7,12H,1H2,2-6H3/b9-7-,13-10+,14-11-
InChIKeyJIHMKMZHMNUQMY-DBRNYMEJSA-N
XLogP2.17
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
CID 134472487
(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
CID 144787200
(Z)-N,5-dimethyl-4-methyliminohex-2-en-2-amine
CID 155055211
(E)-N-methyl-1-[[(4E)-2,5,6-trimethylhepta-1,4,6-trien-3-ylidene]amino]prop-1-en-2-amine
CID 156426788
(E)-N-[(Z)-but-1-enyl]-3-methyl-4-methyliminopent-2-en-2-amine
CID 156479541
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
CID 163919877
(2Z,4Z)-4-ethyl-N-methyl-6-methyliminohepta-2,4-dien-2-amine
CID 163966119
(E)-N-methyl-1-[[(Z)-3-methylidenehept-5-en-2-ylidene]amino]prop-1-en-2-amine
CID 166656259
ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
CID 172597542
N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane
CID 172597690
N-methyl-4-methyliminohex-2-en-2-amine
CID 173382831
3-amino-N,N',4,4-tetramethylpent-2-enimidamide
CID 173491306

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
The IUPAC name of N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide (CID 172597543) is N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide is C=C(C)C(/C=C(/C)NC)=N\C(C)=N\C.
What is the InChIKey of N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
The InChIKey is JIHMKMZHMNUQMY-DBRNYMEJSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)11(7-9(3)12-5)14-10(4)13-6/h7,12H,1H2,2-6H3/b9-7-,13-10+,14-11-.
What are the key properties of N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide has a molecular weight of 193.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide is sourced from PubChem (CID 172597543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).