N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide

C9H17N3 — CID 147463171

IUPACN'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide
SMILESC/N=C(C)/C=C(/C)N/C(C)=N/C
InChIInChI=1S/C9H17N3/c1-7(10-4)6-8(2)12-9(3)11-5/h6H,1-5H3,(H,11,12)/b8-6-,10-7+
InChIKeyFAHUGNKLXOVXNA-GOOBONSCSA-N
MW167.26 g/mol
LogP1.62
Rot. Bonds2

About N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide

N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide (PubChem CID 147463171) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide
PubChem CID147463171
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide
SMILESC/N=C(C)/C=C(/C)N/C(C)=N/C
InChIInChI=1S/C9H17N3/c1-7(10-4)6-8(2)12-9(3)11-5/h6H,1-5H3,(H,11,12)/b8-6-,10-7+
InChIKeyFAHUGNKLXOVXNA-GOOBONSCSA-N
XLogP1.62
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide (CID 147463171) is N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide is C/N=C(C)/C=C(/C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide?
The InChIKey is FAHUGNKLXOVXNA-GOOBONSCSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(10-4)6-8(2)12-9(3)11-5/h6H,1-5H3,(H,11,12)/b8-6-,10-7+.
What are the key properties of N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide?
N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-4-methyliminopent-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 147463171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).