4-(N-ethylanilino)butanimidamide

C12H19N3 — CID 24691564

IUPAC4-(N-ethylanilino)butanimidamide
SMILES[H]/N=C(\N)CCCN(CC)c1ccccc1
InChIInChI=1S/C12H19N3/c1-2-15(10-6-9-12(13)14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,13,14)
InChIKeyILRYRBAZJGKTPJ-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.23
Rot. Bonds6

About 4-(N-ethylanilino)butanimidamide

4-(N-ethylanilino)butanimidamide (PubChem CID 24691564) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-(N-ethylanilino)butanimidamide.

Molecular Properties

Compound Name4-(N-ethylanilino)butanimidamide
PubChem CID24691564
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-(N-ethylanilino)butanimidamide
SMILES[H]/N=C(\N)CCCN(CC)c1ccccc1
InChIInChI=1S/C12H19N3/c1-2-15(10-6-9-12(13)14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,13,14)
InChIKeyILRYRBAZJGKTPJ-UHFFFAOYSA-N
XLogP2.23
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.23
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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Related Compounds

4-(N-ethylanilino)butanoic acid
CID 11390560
3-[N-(3-methylsulfonylpropyl)anilino]propanimidamide
CID 63191645
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
6-(N-ethylanilino)hexan-3-one
CID 106801166
1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
CID 111035152
1-(3-amino-3-iminopropyl)-3,3-diethyl-1-phenylurea
CID 79161303
3-(N-ethylanilino)propylurea
CID 112708177
5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340
4-(N-butylanilino)-2,2-dimethylbutanimidamide
CID 65252661
3-[4-(diethylamino)anilino]propanimidamide
CID 83967876
3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
CID 79267977
N,N-diethylaniline;hydrazine
CID 161037544

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)butanimidamide?
The IUPAC name of 4-(N-ethylanilino)butanimidamide (CID 24691564) is 4-(N-ethylanilino)butanimidamide.
What is the SMILES notation for 4-(N-ethylanilino)butanimidamide?
The canonical SMILES for 4-(N-ethylanilino)butanimidamide is [H]/N=C(\N)CCCN(CC)c1ccccc1.
What is the InChIKey of 4-(N-ethylanilino)butanimidamide?
The InChIKey is ILRYRBAZJGKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15(10-6-9-12(13)14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,13,14).
What are the key properties of 4-(N-ethylanilino)butanimidamide?
4-(N-ethylanilino)butanimidamide has a molecular weight of 205.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)butanimidamide is sourced from PubChem (CID 24691564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).