3-(3-ethylanilino)propanimidamide;dihydrochloride

C11H19Cl2N3 — CID 172803817

IUPAC3-(3-ethylanilino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCNc1cccc(CC)c1
InChIInChI=1S/C11H17N3.2ClH/c1-2-9-4-3-5-10(8-9)14-7-6-11(12)13;;/h3-5,8,14H,2,6-7H2,1H3,(H3,12,13);2*1H
InChIKeyRFOBKYCTDXGWGV-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.83
Rot. Bonds5

About 3-(3-ethylanilino)propanimidamide;dihydrochloride

3-(3-ethylanilino)propanimidamide;dihydrochloride (PubChem CID 172803817) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-(3-ethylanilino)propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-(3-ethylanilino)propanimidamide;dihydrochloride
PubChem CID172803817
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name3-(3-ethylanilino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCNc1cccc(CC)c1
InChIInChI=1S/C11H17N3.2ClH/c1-2-9-4-3-5-10(8-9)14-7-6-11(12)13;;/h3-5,8,14H,2,6-7H2,1H3,(H3,12,13);2*1H
InChIKeyRFOBKYCTDXGWGV-UHFFFAOYSA-N
XLogP2.83
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.83
H-Bond Donors ≤ 53
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

ethyl 3-(3-ethylanilino)propanoate
CID 43365421
CID 58064173
CID 58064173
N'-(3-ethylphenyl)methanediamine
CID 89312870
4-(3-ethylanilino)-2-methylbutan-2-ol
CID 79360431
4-(3-ethylphenoxy)butanimidamide
CID 24704166
3-[4-(diethylamino)anilino]propanimidamide
CID 83967876
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
ethyl 3-(3-methylanilino)propanimidate
CID 45097004
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
ethyl 3-(3-chloroanilino)propanimidate
CID 134890828
3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
N-(2-butoxyethyl)-3-ethylaniline
CID 61483073

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylanilino)propanimidamide;dihydrochloride?
The IUPAC name of 3-(3-ethylanilino)propanimidamide;dihydrochloride (CID 172803817) is 3-(3-ethylanilino)propanimidamide;dihydrochloride.
What is the SMILES notation for 3-(3-ethylanilino)propanimidamide;dihydrochloride?
The canonical SMILES for 3-(3-ethylanilino)propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCNc1cccc(CC)c1.
What is the InChIKey of 3-(3-ethylanilino)propanimidamide;dihydrochloride?
The InChIKey is RFOBKYCTDXGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c1-2-9-4-3-5-10(8-9)14-7-6-11(12)13;;/h3-5,8,14H,2,6-7H2,1H3,(H3,12,13);2*1H.
What are the key properties of 3-(3-ethylanilino)propanimidamide;dihydrochloride?
3-(3-ethylanilino)propanimidamide;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylanilino)propanimidamide;dihydrochloride is sourced from PubChem (CID 172803817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).