N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide

C11H19ClN2 — CID 143160526

IUPACN-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide
SMILESC/C=C(Cl)\C=C/C(C)(C)CN/C=N/C
InChIInChI=1S/C11H19ClN2/c1-5-10(12)6-7-11(2,3)8-14-9-13-4/h5-7,9H,8H2,1-4H3,(H,13,14)/b7-6-,10-5+
InChIKeySIUWPTGIFMWIHE-JQEGGOPCSA-N
MW214.74 g/mol
LogP2.96
Rot. Bonds5

About N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide

N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide (PubChem CID 143160526) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide
PubChem CID143160526
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC NameN-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide
SMILESC/C=C(Cl)\C=C/C(C)(C)CN/C=N/C
InChIInChI=1S/C11H19ClN2/c1-5-10(12)6-7-11(2,3)8-14-9-13-4/h5-7,9H,8H2,1-4H3,(H,13,14)/b7-6-,10-5+
InChIKeySIUWPTGIFMWIHE-JQEGGOPCSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.96
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-[(1E)-3-chloropenta-1,3-dienyl]-N'-[(1E)-2-[(dimethylamino)methyl]penta-1,3-dienyl]methanimidamide
CID 123255426
(2E)-2-chloro-3,5-dimethylhexa-2,4-diene;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
CID 144991470
N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide
CID 146593809

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide (CID 143160526) is N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide is C/C=C(Cl)\C=C/C(C)(C)CN/C=N/C.
What is the InChIKey of N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide?
The InChIKey is SIUWPTGIFMWIHE-JQEGGOPCSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-5-10(12)6-7-11(2,3)8-14-9-13-4/h5-7,9H,8H2,1-4H3,(H,13,14)/b7-6-,10-5+.
What are the key properties of N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide?
N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide has a molecular weight of 214.74 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-chloro-2,2-dimethylhepta-3,5-dienyl]-N'-methylmethanimidamide is sourced from PubChem (CID 143160526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).