N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide

C11H23N3 — CID 123670315

IUPACN'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide
SMILESCCC(=CN/C(C)=N/C)CNC(C)C
InChIInChI=1S/C11H23N3/c1-6-11(7-13-9(2)3)8-14-10(4)12-5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyFULNTLCHNIULIQ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.92
Rot. Bonds5

About N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide

N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide (PubChem CID 123670315) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide
PubChem CID123670315
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide
SMILESCCC(=CN/C(C)=N/C)CNC(C)C
InChIInChI=1S/C11H23N3/c1-6-11(7-13-9(2)3)8-14-10(4)12-5/h8-9,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyFULNTLCHNIULIQ-UHFFFAOYSA-N
XLogP1.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide (CID 123670315) is N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide is CCC(=CN/C(C)=N/C)CNC(C)C.
What is the InChIKey of N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide?
The InChIKey is FULNTLCHNIULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-11(7-13-9(2)3)8-14-10(4)12-5/h8-9,13H,6-7H2,1-5H3,(H,12,14).
What are the key properties of N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide?
N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-[(propan-2-ylamino)methyl]but-1-enyl]ethanimidamide is sourced from PubChem (CID 123670315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).