N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide

C10H20N2 — CID 130348654

IUPACN-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide
SMILESC/N=C(\C)NC/C=C(/C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)9(3)6-7-12-10(4)11-5/h6,8H,7H2,1-5H3,(H,11,12)/b9-6-
InChIKeyJUOMMPRGLRLJRO-TWGQIWQCSA-N
MW168.28 g/mol
LogP2.23
Rot. Bonds3

About N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide

N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide (PubChem CID 130348654) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide
PubChem CID130348654
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide
SMILESC/N=C(\C)NC/C=C(/C)C(C)C
InChIInChI=1S/C10H20N2/c1-8(2)9(3)6-7-12-10(4)11-5/h6,8H,7H2,1-5H3,(H,11,12)/b9-6-
InChIKeyJUOMMPRGLRLJRO-TWGQIWQCSA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide (CID 130348654) is N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide is C/N=C(\C)NC/C=C(/C)C(C)C.
What is the InChIKey of N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide?
The InChIKey is JUOMMPRGLRLJRO-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)9(3)6-7-12-10(4)11-5/h6,8H,7H2,1-5H3,(H,11,12)/b9-6-.
What are the key properties of N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide?
N-[(Z)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide has a molecular weight of 168.28 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)-3,4-dimethylpent-2-enyl]-N'-methylethanimidamide is sourced from PubChem (CID 130348654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).