3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride

C12H21Cl2N3 — CID 42614728

IUPAC3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CC)c1cccc(C)c1
InChIInChI=1S/C12H19N3.2ClH/c1-3-15(8-7-12(13)14)11-6-4-5-10(2)9-11;;/h4-6,9H,3,7-8H2,1-2H3,(H3,13,14);2*1H
InChIKeyQBNYHKMKRCXXRT-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.99
Rot. Bonds5

About 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride

3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride (PubChem CID 42614728) has the molecular formula C12H21Cl2N3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
PubChem CID42614728
Molecular FormulaC12H21Cl2N3
Molecular Weight278.23 g/mol
Exact Mass277.11
IUPAC Name3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(CC)c1cccc(C)c1
InChIInChI=1S/C12H19N3.2ClH/c1-3-15(8-7-12(13)14)11-6-4-5-10(2)9-11;;/h4-6,9H,3,7-8H2,1-2H3,(H3,13,14);2*1H
InChIKeyQBNYHKMKRCXXRT-UHFFFAOYSA-N
XLogP2.99
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.99
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

2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
4-(N-ethylanilino)butanimidamide
CID 24691564
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
CID 66337672
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
3-[ethyl-(6-methoxy-2-pyridinyl)amino]propanimidamide
CID 63590024
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride?
The IUPAC name of 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride (CID 42614728) is 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride.
What is the SMILES notation for 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride?
The canonical SMILES for 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN(CC)c1cccc(C)c1.
What is the InChIKey of 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride?
The InChIKey is QBNYHKMKRCXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2ClH/c1-3-15(8-7-12(13)14)11-6-4-5-10(2)9-11;;/h4-6,9H,3,7-8H2,1-2H3,(H3,13,14);2*1H.
What are the key properties of 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride?
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride has a molecular weight of 278.23 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride is sourced from PubChem (CID 42614728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).