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

C11H18N2 — CID 123434689

IUPACN-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
SMILESC=C(C)/C(=C\C=C(C)C)N/C=N/C
InChIInChI=1S/C11H18N2/c1-9(2)6-7-11(10(3)4)13-8-12-5/h6-8H,3H2,1-2,4-5H3,(H,12,13)/b11-7+
InChIKeyYOPFAXOXCJYCFC-YRNVUSSQSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds4

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

N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide (PubChem CID 123434689) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
PubChem CID123434689
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
SMILESC=C(C)/C(=C\C=C(C)C)N/C=N/C
InChIInChI=1S/C11H18N2/c1-9(2)6-7-11(10(3)4)13-8-12-5/h6-8H,3H2,1-2,4-5H3,(H,12,13)/b11-7+
InChIKeyYOPFAXOXCJYCFC-YRNVUSSQSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
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'-(3-aminoprop-1-en-2-yl)-N-[(2E,4E)-2-ethyl-4,6-difluorohepta-2,4-dienyl]-N-methylmethanimidamide
CID 146227790
N-[(4Z,6E)-12-fluoro-9-methylidene-6-propyldodeca-4,6-dien-5-yl]-N'-methylmethanimidamide
CID 174078585
1H-Cyclohepta[d]pyrimidine
CID 45080488
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
1,4,6,7-Tetrahydroquinazoline
CID 91013130
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide (CID 123434689) is N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide is C=C(C)/C(=C\C=C(C)C)N/C=N/C.
What is the InChIKey of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
The InChIKey is YOPFAXOXCJYCFC-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)6-7-11(10(3)4)13-8-12-5/h6-8H,3H2,1-2,4-5H3,(H,12,13)/b11-7+.
What are the key properties of N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 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'-methylmethanimidamide is sourced from PubChem (CID 123434689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).