N'-[(Z)-6-methylhept-2-enyl]ethanimidamide

C10H20N2 — CID 142866846

IUPACN'-[(Z)-6-methylhept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C=C\CCC(C)C
InChIInChI=1S/C10H20N2/c1-9(2)7-5-4-6-8-12-10(3)11/h4,6,9H,5,7-8H2,1-3H3,(H2,11,12)/b6-4-
InChIKeyMSONLTULMOKUIO-XQRVVYSFSA-N
MW168.28 g/mol
LogP2.36
Rot. Bonds5

About N'-[(Z)-6-methylhept-2-enyl]ethanimidamide

N'-[(Z)-6-methylhept-2-enyl]ethanimidamide (PubChem CID 142866846) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(Z)-6-methylhept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-6-methylhept-2-enyl]ethanimidamide
PubChem CID142866846
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(Z)-6-methylhept-2-enyl]ethanimidamide
SMILESC/C(N)=N\C/C=C\CCC(C)C
InChIInChI=1S/C10H20N2/c1-9(2)7-5-4-6-8-12-10(3)11/h4,6,9H,5,7-8H2,1-3H3,(H2,11,12)/b6-4-
InChIKeyMSONLTULMOKUIO-XQRVVYSFSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-6-methylhept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-6-methylhept-2-enyl]ethanimidamide (CID 142866846) is N'-[(Z)-6-methylhept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-6-methylhept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-6-methylhept-2-enyl]ethanimidamide is C/C(N)=N\C/C=C\CCC(C)C.
What is the InChIKey of N'-[(Z)-6-methylhept-2-enyl]ethanimidamide?
The InChIKey is MSONLTULMOKUIO-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)7-5-4-6-8-12-10(3)11/h4,6,9H,5,7-8H2,1-3H3,(H2,11,12)/b6-4-.
What are the key properties of N'-[(Z)-6-methylhept-2-enyl]ethanimidamide?
N'-[(Z)-6-methylhept-2-enyl]ethanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-6-methylhept-2-enyl]ethanimidamide is sourced from PubChem (CID 142866846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).