N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide

C10H21N3 — CID 144709365

IUPACN'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide
SMILESCCCCN(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C10H21N3/c1-5-6-7-13(4)9(2)8-12-10(3)11/h8H,5-7H2,1-4H3,(H2,11,12)/b9-8+
InChIKeyBCGARRYATSWCOI-CMDGGOBGSA-N
MW183.30 g/mol
LogP1.96
Rot. Bonds5

About N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide

N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide (PubChem CID 144709365) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide
PubChem CID144709365
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide
SMILESCCCCN(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C10H21N3/c1-5-6-7-13(4)9(2)8-12-10(3)11/h8H,5-7H2,1-4H3,(H2,11,12)/b9-8+
InChIKeyBCGARRYATSWCOI-CMDGGOBGSA-N
XLogP1.96
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.96
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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Related Compounds

1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide
CID 144709361
N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
CID 144709362
N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide
CID 144709725
ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
CID 145267739
2,4-dimethyl-1-propyl-1H-imidazol-1-ium
CID 152750235
1-butyl-2,4-dimethyl-1H-imidazol-1-ium
CID 154222841
1-(Ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium
CID 163978271
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
CID 142097634
N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
CID 145267740

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide (CID 144709365) is N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide is CCCCN(C)/C(C)=C/N=C(\C)N.
What is the InChIKey of N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide?
The InChIKey is BCGARRYATSWCOI-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H21N3/c1-5-6-7-13(4)9(2)8-12-10(3)11/h8H,5-7H2,1-4H3,(H2,11,12)/b9-8+.
What are the key properties of N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide?
N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144709365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).