N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide

C9H16N2 — CID 139294854

IUPACN'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
SMILESC=C(CC)/C(C)=C(C)\N=C\N
InChIInChI=1S/C9H16N2/c1-5-7(2)8(3)9(4)11-6-10/h6H,2,5H2,1,3-4H3,(H2,10,11)/b9-8-
InChIKeyZKZCWNQTTBVSPX-HJWRWDBZSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds3

About N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide

N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide (PubChem CID 139294854) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
PubChem CID139294854
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
SMILESC=C(CC)/C(C)=C(C)\N=C\N
InChIInChI=1S/C9H16N2/c1-5-7(2)8(3)9(4)11-6-10/h6H,2,5H2,1,3-4H3,(H2,10,11)/b9-8-
InChIKeyZKZCWNQTTBVSPX-HJWRWDBZSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
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)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide (CID 139294854) is N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide is C=C(CC)/C(C)=C(C)\N=C\N.
What is the InChIKey of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
The InChIKey is ZKZCWNQTTBVSPX-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)8(3)9(4)11-6-10/h6H,2,5H2,1,3-4H3,(H2,10,11)/b9-8-.
What are the key properties of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide is sourced from PubChem (CID 139294854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).