N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide

C9H19N3 — CID 118617260

IUPACN-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide
SMILESCCN(C)CC/C=C/N/C=N/C
InChIInChI=1S/C9H19N3/c1-4-12(3)8-6-5-7-11-9-10-2/h5,7,9H,4,6,8H2,1-3H3,(H,10,11)/b7-5+
InChIKeyBPLDYUOFHPKFMF-FNORWQNLSA-N
MW169.27 g/mol
LogP1.09
Rot. Bonds6

About N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide

N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide (PubChem CID 118617260) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide
PubChem CID118617260
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide
SMILESCCN(C)CC/C=C/N/C=N/C
InChIInChI=1S/C9H19N3/c1-4-12(3)8-6-5-7-11-9-10-2/h5,7,9H,4,6,8H2,1-3H3,(H,10,11)/b7-5+
InChIKeyBPLDYUOFHPKFMF-FNORWQNLSA-N
XLogP1.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.09
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-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide (CID 118617260) is N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide is CCN(C)CC/C=C/N/C=N/C.
What is the InChIKey of N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide?
The InChIKey is BPLDYUOFHPKFMF-FNORWQNLSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-12(3)8-6-5-7-11-9-10-2/h5,7,9H,4,6,8H2,1-3H3,(H,10,11)/b7-5+.
What are the key properties of N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide?
N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-[ethyl(methyl)amino]but-1-enyl]-N'-methylmethanimidamide is sourced from PubChem (CID 118617260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).