N-benzyl-N-ethylbutanimidamide

C13H20N2 — CID 63175572

IUPACN-benzyl-N-ethylbutanimidamide
SMILES[H]/N=C(\CCC)N(CC)Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-3-8-13(14)15(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,14H,3-4,8,11H2,1-2H3/b14-13+
InChIKeyHXJBDOGNUULLSV-BUHFOSPRSA-N
MW204.32 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-N-ethylbutanimidamide

N-benzyl-N-ethylbutanimidamide (PubChem CID 63175572) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-benzyl-N-ethylbutanimidamide.

Molecular Properties

Compound NameN-benzyl-N-ethylbutanimidamide
PubChem CID63175572
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-benzyl-N-ethylbutanimidamide
SMILES[H]/N=C(\CCC)N(CC)Cc1ccccc1
InChIInChI=1S/C13H20N2/c1-3-8-13(14)15(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,14H,3-4,8,11H2,1-2H3/b14-13+
InChIKeyHXJBDOGNUULLSV-BUHFOSPRSA-N
XLogP3.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.29
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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Related Compounds

N-benzyl-N-ethyl-2-methylpropanimidamide
CID 63175573
N-benzyl-2-methyl-N-propylpropanimidamide
CID 130949463
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1,1-dibenzylguanidine
CID 9487
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N-dibenzyl-2-(methylamino)prop-2-enimidamide
CID 146643292
3-phenyl-N-[2-(propan-2-ylamino)ethyl]-N-propylpropanimidamide
CID 129261178
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N-dibutylbutanimidamide
CID 63175446
N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide
CID 19099766

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylbutanimidamide?
The IUPAC name of N-benzyl-N-ethylbutanimidamide (CID 63175572) is N-benzyl-N-ethylbutanimidamide.
What is the SMILES notation for N-benzyl-N-ethylbutanimidamide?
The canonical SMILES for N-benzyl-N-ethylbutanimidamide is [H]/N=C(\CCC)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethylbutanimidamide?
The InChIKey is HXJBDOGNUULLSV-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-8-13(14)15(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,14H,3-4,8,11H2,1-2H3/b14-13+.
What are the key properties of N-benzyl-N-ethylbutanimidamide?
N-benzyl-N-ethylbutanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylbutanimidamide is sourced from PubChem (CID 63175572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).