3-(diethylamino)propanimidamide;hydrochloride

C7H18ClN3 — CID 82021474

IUPAC3-(diethylamino)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCN(CC)CC
InChIInChI=1S/C7H17N3.ClH/c1-3-10(4-2)6-5-7(8)9;/h3-6H2,1-2H3,(H3,8,9);1H
InChIKeyNXCAQODQVCYLRL-UHFFFAOYSA-N
MW179.70 g/mol
LogP1.08
Rot. Bonds5

About 3-(diethylamino)propanimidamide;hydrochloride

3-(diethylamino)propanimidamide;hydrochloride (PubChem CID 82021474) has the molecular formula C7H18ClN3 and a molecular weight of 179.70 g/mol. Its IUPAC name is 3-(diethylamino)propanimidamide;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)propanimidamide;hydrochloride
PubChem CID82021474
Molecular FormulaC7H18ClN3
Molecular Weight179.70 g/mol
Exact Mass179.12
IUPAC Name3-(diethylamino)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCN(CC)CC
InChIInChI=1S/C7H17N3.ClH/c1-3-10(4-2)6-5-7(8)9;/h3-6H2,1-2H3,(H3,8,9);1H
InChIKeyNXCAQODQVCYLRL-UHFFFAOYSA-N
XLogP1.08
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.70
LogP ≤ 51.08
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

3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanimidamide
CID 79387749
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
2-(diethylamino)ethanimidamide
CID 3259588
butanediimidamide;dihydrochloride
CID 88614640
1-(3-amino-3-iminopropyl)-3-ethyl-1,3-dimethylurea
CID 79163328
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[(2-bromo-4-fluorophenyl)methyl-ethylamino]propanimidamide
CID 54992940
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(ethyl)amino]propanimidamide
CID 66418926
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanimidamide
CID 54993080

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propanimidamide;hydrochloride?
The IUPAC name of 3-(diethylamino)propanimidamide;hydrochloride (CID 82021474) is 3-(diethylamino)propanimidamide;hydrochloride.
What is the SMILES notation for 3-(diethylamino)propanimidamide;hydrochloride?
The canonical SMILES for 3-(diethylamino)propanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCN(CC)CC.
What is the InChIKey of 3-(diethylamino)propanimidamide;hydrochloride?
The InChIKey is NXCAQODQVCYLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.ClH/c1-3-10(4-2)6-5-7(8)9;/h3-6H2,1-2H3,(H3,8,9);1H.
What are the key properties of 3-(diethylamino)propanimidamide;hydrochloride?
3-(diethylamino)propanimidamide;hydrochloride has a molecular weight of 179.70 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propanimidamide;hydrochloride is sourced from PubChem (CID 82021474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).