N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide

C12H20N2 — CID 123759223

IUPACN'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide
SMILESC=CCCC(C=C)C/N=C/NC(=C)C
InChIInChI=1S/C12H20N2/c1-5-7-8-12(6-2)9-13-10-14-11(3)4/h5-6,10,12H,1-3,7-9H2,4H3,(H,13,14)
InChIKeyLIFNMYAUPHIIGL-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.91
Rot. Bonds8

About N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide

N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide (PubChem CID 123759223) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide
PubChem CID123759223
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide
SMILESC=CCCC(C=C)C/N=C/NC(=C)C
InChIInChI=1S/C12H20N2/c1-5-7-8-12(6-2)9-13-10-14-11(3)4/h5-6,10,12H,1-3,7-9H2,4H3,(H,13,14)
InChIKeyLIFNMYAUPHIIGL-UHFFFAOYSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.91
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
CID 123570444
N'-[(Z)-4-methylhex-2-enyl]-N-prop-1-en-2-ylmethanimidamide
CID 155371478
N-buta-1,3-dien-2-yl-N'-(2-ethylbutyl)methanimidamide
CID 155480280
N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide
CID 177161884

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide (CID 123759223) is N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide is C=CCCC(C=C)C/N=C/NC(=C)C.
What is the InChIKey of N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide?
The InChIKey is LIFNMYAUPHIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-12(6-2)9-13-10-14-11(3)4/h5-6,10,12H,1-3,7-9H2,4H3,(H,13,14).
What are the key properties of N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide?
N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 123759223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).