N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide

C13H24N2 — CID 166814571

IUPACN'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide
SMILESC=C(CC)/N=C(\CC)N(C)CC/C=C\C
InChIInChI=1S/C13H24N2/c1-6-9-10-11-15(5)13(8-3)14-12(4)7-2/h6,9H,4,7-8,10-11H2,1-3,5H3/b9-6-,14-13+
InChIKeyRVXZFMDTOKQRDD-VFMLYFKRSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds6

About N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide

N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide (PubChem CID 166814571) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide
PubChem CID166814571
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide
SMILESC=C(CC)/N=C(\CC)N(C)CC/C=C\C
InChIInChI=1S/C13H24N2/c1-6-9-10-11-15(5)13(8-3)14-12(4)7-2/h6,9H,4,7-8,10-11H2,1-3,5H3/b9-6-,14-13+
InChIKeyRVXZFMDTOKQRDD-VFMLYFKRSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
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'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide?
The IUPAC name of N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide (CID 166814571) is N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide.
What is the SMILES notation for N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide?
The canonical SMILES for N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide is C=C(CC)/N=C(\CC)N(C)CC/C=C\C.
What is the InChIKey of N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide?
The InChIKey is RVXZFMDTOKQRDD-VFMLYFKRSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-9-10-11-15(5)13(8-3)14-12(4)7-2/h6,9H,4,7-8,10-11H2,1-3,5H3/b9-6-,14-13+.
What are the key properties of N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide?
N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide is sourced from PubChem (CID 166814571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).