N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide

C9H18N2 — CID 123426188

IUPACN'-(3,4-dimethylhex-2-en-2-yl)methanimidamide
SMILESCCC(C)C(C)=C(C)/N=C/N
InChIInChI=1S/C9H18N2/c1-5-7(2)8(3)9(4)11-6-10/h6-7H,5H2,1-4H3,(H2,10,11)
InChIKeyFLCLXAAWLWOKMD-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.31
Rot. Bonds3

About N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide

N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide (PubChem CID 123426188) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3,4-dimethylhex-2-en-2-yl)methanimidamide
PubChem CID123426188
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(3,4-dimethylhex-2-en-2-yl)methanimidamide
SMILESCCC(C)C(C)=C(C)/N=C/N
InChIInChI=1S/C9H18N2/c1-5-7(2)8(3)9(4)11-6-10/h6-7H,5H2,1-4H3,(H2,10,11)
InChIKeyFLCLXAAWLWOKMD-UHFFFAOYSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.31
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide?
The IUPAC name of N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide (CID 123426188) is N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide.
What is the SMILES notation for N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide?
The canonical SMILES for N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide is CCC(C)C(C)=C(C)/N=C/N.
What is the InChIKey of N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide?
The InChIKey is FLCLXAAWLWOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7(2)8(3)9(4)11-6-10/h6-7H,5H2,1-4H3,(H2,10,11).
What are the key properties of N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide?
N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide is sourced from PubChem (CID 123426188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).