N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide

C11H16N2 — CID 143195803

IUPACN'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N\C(=C\C=C(C)C)C(=C)C
InChIInChI=1S/C11H16N2/c1-9(2)6-7-11(10(3)4)13-8-12-5/h6-8H,3,5H2,1-2,4H3/b11-7+,13-8+
InChIKeyMAZSQEZLKJCMCK-ZHSLHGDYSA-N
MW176.26 g/mol
LogP3.14
Rot. Bonds4

About N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide

N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide (PubChem CID 143195803) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide
PubChem CID143195803
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N\C(=C\C=C(C)C)C(=C)C
InChIInChI=1S/C11H16N2/c1-9(2)6-7-11(10(3)4)13-8-12-5/h6-8H,3,5H2,1-2,4H3/b11-7+,13-8+
InChIKeyMAZSQEZLKJCMCK-ZHSLHGDYSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
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'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-2,2,2-trifluoro-N-methylideneethanimidamide
CID 143579831
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
5-Ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
CID 90709637
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
4,5-Di(ethylidene)pyrimidine
CID 123777502
N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine
CID 123907280

Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide (CID 143195803) is N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide is C=N/C=N\C(=C\C=C(C)C)C(=C)C.
What is the InChIKey of N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide?
The InChIKey is MAZSQEZLKJCMCK-ZHSLHGDYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)6-7-11(10(3)4)13-8-12-5/h6-8H,3,5H2,1-2,4H3/b11-7+,13-8+.
What are the key properties of N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide?
N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 143195803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).