2-[3-(diethylamino)propyl-ethylamino]propanimidamide

C12H28N4 — CID 102993857

IUPAC2-[3-(diethylamino)propyl-ethylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CC)CCCN(CC)CC
InChIInChI=1S/C12H28N4/c1-5-15(6-2)9-8-10-16(7-3)11(4)12(13)14/h11H,5-10H2,1-4H3,(H3,13,14)
InChIKeyWUDVRHDHQCCQHK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.36
Rot. Bonds9

About 2-[3-(diethylamino)propyl-ethylamino]propanimidamide

2-[3-(diethylamino)propyl-ethylamino]propanimidamide (PubChem CID 102993857) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]propanimidamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]propanimidamide
PubChem CID102993857
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CC)CCCN(CC)CC
InChIInChI=1S/C12H28N4/c1-5-15(6-2)9-8-10-16(7-3)11(4)12(13)14/h11H,5-10H2,1-4H3,(H3,13,14)
InChIKeyWUDVRHDHQCCQHK-UHFFFAOYSA-N
XLogP1.36
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-(diethylamino)propyl-ethylamino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
N-[3-(diethylamino)propyl]-N-ethylethanimidamide
CID 102998150
1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
CID 79163244
3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
CID 61437175
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-(diethylamino)butanimidamide
CID 60913341
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981
3-[ethyl(propyl)amino]butanimidamide
CID 60913163
2-[3-(diethylamino)propyl-ethylamino]butanehydrazide
CID 102998207
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]propanimidamide?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]propanimidamide (CID 102993857) is 2-[3-(diethylamino)propyl-ethylamino]propanimidamide.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]propanimidamide?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]propanimidamide is [H]/N=C(\N)C(C)N(CC)CCCN(CC)CC.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]propanimidamide?
The InChIKey is WUDVRHDHQCCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-5-15(6-2)9-8-10-16(7-3)11(4)12(13)14/h11H,5-10H2,1-4H3,(H3,13,14).
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]propanimidamide?
2-[3-(diethylamino)propyl-ethylamino]propanimidamide has a molecular weight of 228.38 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]propanimidamide is sourced from PubChem (CID 102993857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).