2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide

C9H18N2 — CID 130233732

IUPAC2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide
SMILESCCC/C=C\N=C(/N)C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-7-11-9(10)8(2)3/h6-8H,4-5H2,1-3H3,(H2,10,11)/b7-6-
InChIKeyBBDLRXHVMMLCOT-SREVYHEPSA-N
MW154.26 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide

2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide (PubChem CID 130233732) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide
PubChem CID130233732
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide
SMILESCCC/C=C\N=C(/N)C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-7-11-9(10)8(2)3/h6-8H,4-5H2,1-3H3,(H2,10,11)/b7-6-
InChIKeyBBDLRXHVMMLCOT-SREVYHEPSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide (CID 130233732) is 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide is CCC/C=C\N=C(/N)C(C)C.
What is the InChIKey of 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide?
The InChIKey is BBDLRXHVMMLCOT-SREVYHEPSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-7-11-9(10)8(2)3/h6-8H,4-5H2,1-3H3,(H2,10,11)/b7-6-.
What are the key properties of 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide?
2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide is sourced from PubChem (CID 130233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).