N'-(2-methylhex-5-enyl)-2-oxoethanimidamide

C9H16N2O — CID 146420620

IUPACN'-(2-methylhex-5-enyl)-2-oxoethanimidamide
SMILESC=CCCC(C)C/N=C(/N)C=O
InChIInChI=1S/C9H16N2O/c1-3-4-5-8(2)6-11-9(10)7-12/h3,7-8H,1,4-6H2,2H3,(H2,10,11)
InChIKeyMIOZZHXZTYCXGV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.14
Rot. Bonds6

About N'-(2-methylhex-5-enyl)-2-oxoethanimidamide

N'-(2-methylhex-5-enyl)-2-oxoethanimidamide (PubChem CID 146420620) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-(2-methylhex-5-enyl)-2-oxoethanimidamide.

Molecular Properties

Compound NameN'-(2-methylhex-5-enyl)-2-oxoethanimidamide
PubChem CID146420620
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN'-(2-methylhex-5-enyl)-2-oxoethanimidamide
SMILESC=CCCC(C)C/N=C(/N)C=O
InChIInChI=1S/C9H16N2O/c1-3-4-5-8(2)6-11-9(10)7-12/h3,7-8H,1,4-6H2,2H3,(H2,10,11)
InChIKeyMIOZZHXZTYCXGV-UHFFFAOYSA-N
XLogP1.14
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylhex-5-enyl)-2-oxoethanimidamide?
The IUPAC name of N'-(2-methylhex-5-enyl)-2-oxoethanimidamide (CID 146420620) is N'-(2-methylhex-5-enyl)-2-oxoethanimidamide.
What is the SMILES notation for N'-(2-methylhex-5-enyl)-2-oxoethanimidamide?
The canonical SMILES for N'-(2-methylhex-5-enyl)-2-oxoethanimidamide is C=CCCC(C)C/N=C(/N)C=O.
What is the InChIKey of N'-(2-methylhex-5-enyl)-2-oxoethanimidamide?
The InChIKey is MIOZZHXZTYCXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-5-8(2)6-11-9(10)7-12/h3,7-8H,1,4-6H2,2H3,(H2,10,11).
What are the key properties of N'-(2-methylhex-5-enyl)-2-oxoethanimidamide?
N'-(2-methylhex-5-enyl)-2-oxoethanimidamide has a molecular weight of 168.24 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylhex-5-enyl)-2-oxoethanimidamide is sourced from PubChem (CID 146420620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).