3-[4-(diethylamino)anilino]propanimidamide

C13H22N4 — CID 83967876

IUPAC3-[4-(diethylamino)anilino]propanimidamide
SMILES[H]/N=C(\N)CCNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C13H22N4/c1-3-17(4-2)12-7-5-11(6-8-12)16-10-9-13(14)15/h5-8,16H,3-4,9-10H2,1-2H3,(H3,14,15)
InChIKeyPGNXMEMEQKGJMI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.27
Rot. Bonds7

About 3-[4-(diethylamino)anilino]propanimidamide

3-[4-(diethylamino)anilino]propanimidamide (PubChem CID 83967876) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]propanimidamide.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]propanimidamide
PubChem CID83967876
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[4-(diethylamino)anilino]propanimidamide
SMILES[H]/N=C(\N)CCNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C13H22N4/c1-3-17(4-2)12-7-5-11(6-8-12)16-10-9-13(14)15/h5-8,16H,3-4,9-10H2,1-2H3,(H3,14,15)
InChIKeyPGNXMEMEQKGJMI-UHFFFAOYSA-N
XLogP2.27
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
CID 77031082
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide
CID 83967871
4-(N-ethylanilino)butanimidamide
CID 24691564
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274
3-(3-ethylanilino)propanimidamide;dihydrochloride
CID 172803817
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]propanimidamide?
The IUPAC name of 3-[4-(diethylamino)anilino]propanimidamide (CID 83967876) is 3-[4-(diethylamino)anilino]propanimidamide.
What is the SMILES notation for 3-[4-(diethylamino)anilino]propanimidamide?
The canonical SMILES for 3-[4-(diethylamino)anilino]propanimidamide is [H]/N=C(\N)CCNc1ccc(N(CC)CC)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]propanimidamide?
The InChIKey is PGNXMEMEQKGJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17(4-2)12-7-5-11(6-8-12)16-10-9-13(14)15/h5-8,16H,3-4,9-10H2,1-2H3,(H3,14,15).
What are the key properties of 3-[4-(diethylamino)anilino]propanimidamide?
3-[4-(diethylamino)anilino]propanimidamide has a molecular weight of 234.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]propanimidamide is sourced from PubChem (CID 83967876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).