N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide

C9H16N2 — CID 123829288

IUPACN'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide
SMILESC=C/C(=C\N=C\N)CC(C)C
InChIInChI=1S/C9H16N2/c1-4-9(5-8(2)3)6-11-7-10/h4,6-8H,1,5H2,2-3H3,(H2,10,11)/b9-6+
InChIKeyXYELHCJJYOIJSV-RMKNXTFCSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds4

About N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide

N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide (PubChem CID 123829288) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide
PubChem CID123829288
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide
SMILESC=C/C(=C\N=C\N)CC(C)C
InChIInChI=1S/C9H16N2/c1-4-9(5-8(2)3)6-11-7-10/h4,6-8H,1,5H2,2-3H3,(H2,10,11)/b9-6+
InChIKeyXYELHCJJYOIJSV-RMKNXTFCSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide?
The IUPAC name of N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide (CID 123829288) is N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide?
The canonical SMILES for N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide is C=C/C(=C\N=C\N)CC(C)C.
What is the InChIKey of N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide?
The InChIKey is XYELHCJJYOIJSV-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-9(5-8(2)3)6-11-7-10/h4,6-8H,1,5H2,2-3H3,(H2,10,11)/b9-6+.
What are the key properties of N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide?
N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-ethenyl-4-methylpent-1-enyl]methanimidamide is sourced from PubChem (CID 123829288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).