N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide

C11H18N2 — CID 167311014

IUPACN'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide
SMILESC=C/C(=C/N=C(\C)N=C)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-7-10(11(3,4)5)8-13-9(2)12-6/h7-8H,1,6H2,2-5H3/b10-8-,13-9+
InChIKeyHGFDQWPULLQKJN-KKCPJAHZSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds2

About N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide

N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide (PubChem CID 167311014) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide
PubChem CID167311014
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide
SMILESC=C/C(=C/N=C(\C)N=C)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-7-10(11(3,4)5)8-13-9(2)12-6/h7-8H,1,6H2,2-5H3/b10-8-,13-9+
InChIKeyHGFDQWPULLQKJN-KKCPJAHZSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
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

CID 126626172
CID 126626172
CID 126626244
CID 126626244
CID 129119754
CID 129119754
CID 130254097
CID 130254097
CID 130254099
CID 130254099
CID 145381829
CID 145381829
CID 155140053
CID 155140053
CID 166740263
CID 166740263
CID 166904645
CID 166904645

Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide (CID 167311014) is N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide is C=C/C(=C/N=C(\C)N=C)C(C)(C)C.
What is the InChIKey of N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide?
The InChIKey is HGFDQWPULLQKJN-KKCPJAHZSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-10(11(3,4)5)8-13-9(2)12-6/h7-8H,1,6H2,2-5H3/b10-8-,13-9+.
What are the key properties of N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide?
N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-2-tert-butylbuta-1,3-dienyl]-N-methylideneethanimidamide is sourced from PubChem (CID 167311014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).