N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine

C14H25N3 — CID 163296299

IUPACN-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C\CN1CCN(C/C=C\CC)C1=NC
InChIInChI=1S/C14H25N3/c1-4-6-8-10-16-12-13-17(14(16)15-3)11-9-7-5-2/h6-9H,4-5,10-13H2,1-3H3/b8-6-,9-7-
InChIKeyPYBQFAZNNBSKSH-VRHVFUOLSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds6

About N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine

N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine (PubChem CID 163296299) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine.

Molecular Properties

Compound NameN-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
PubChem CID163296299
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
SMILESCC/C=C\CN1CCN(C/C=C\CC)C1=NC
InChIInChI=1S/C14H25N3/c1-4-6-8-10-16-12-13-17(14(16)15-3)11-9-7-5-2/h6-9H,4-5,10-13H2,1-3H3/b8-6-,9-7-
InChIKeyPYBQFAZNNBSKSH-VRHVFUOLSA-N
XLogP2.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine?
The IUPAC name of N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine (CID 163296299) is N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine.
What is the SMILES notation for N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine?
The canonical SMILES for N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine is CC/C=C\CN1CCN(C/C=C\CC)C1=NC.
What is the InChIKey of N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine?
The InChIKey is PYBQFAZNNBSKSH-VRHVFUOLSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-8-10-16-12-13-17(14(16)15-3)11-9-7-5-2/h6-9H,4-5,10-13H2,1-3H3/b8-6-,9-7-.
What are the key properties of N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine?
N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine is sourced from PubChem (CID 163296299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).