N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide

C12H20N2 — CID 138473649

IUPACN'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
SMILESC=C(C=CCC)/C(C)=C(C)\N=C(/C)N
InChIInChI=1S/C12H20N2/c1-6-7-8-9(2)10(3)11(4)14-12(5)13/h7-8H,2,6H2,1,3-5H3,(H2,13,14)/b8-7?,11-10-
InChIKeyMGHRTHOUQVJSGO-UUCQBQOYSA-N
MW192.31 g/mol
LogP3.18
Rot. Bonds4

About N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide

N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide (PubChem CID 138473649) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
PubChem CID138473649
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
SMILESC=C(C=CCC)/C(C)=C(C)\N=C(/C)N
InChIInChI=1S/C12H20N2/c1-6-7-8-9(2)10(3)11(4)14-12(5)13/h7-8H,2,6H2,1,3-5H3,(H2,13,14)/b8-7?,11-10-
InChIKeyMGHRTHOUQVJSGO-UUCQBQOYSA-N
XLogP3.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
CID 90464549
N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide
CID 145143723
N'-cyclohexa-1,3-dien-1-ylethanimidamide
CID 68215787
2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine
CID 89149541
2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
CID 89938679
N'-[(E)-hex-2-en-2-yl]ethanimidamide
CID 117998023
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
(2E,5Z,6Z)-2-amino-3-ethenyl-5-ethylidene-N'-methylocta-2,6-dienimidamide
CID 126676681
(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
CID 129058386
(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 129060199
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666

Frequently Asked Questions

What is the IUPAC name of N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide (CID 138473649) is N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide is C=C(C=CCC)/C(C)=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide?
The InChIKey is MGHRTHOUQVJSGO-UUCQBQOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-7-8-9(2)10(3)11(4)14-12(5)13/h7-8H,2,6H2,1,3-5H3,(H2,13,14)/b8-7?,11-10-.
What are the key properties of N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide?
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide is sourced from PubChem (CID 138473649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).