2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C12H29IN4 — CID 111025375

IUPAC2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCN(CC)CCCN=C(N(C)C)N(C)C.I
InChIInChI=1S/C12H28N4.HI/c1-7-16(8-2)11-9-10-13-12(14(3)4)15(5)6;/h7-11H2,1-6H3;1H
InChIKeyWTXYZAPWPZJMGU-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.82
Rot. Bonds6

About 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111025375) has the molecular formula C12H29IN4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111025375
Molecular FormulaC12H29IN4
Molecular Weight356.30 g/mol
Exact Mass356.14
IUPAC Name2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCN(CC)CCCN=C(N(C)C)N(C)C.I
InChIInChI=1S/C12H28N4.HI/c1-7-16(8-2)11-9-10-13-12(14(3)4)15(5)6;/h7-11H2,1-6H3;1H
InChIKeyWTXYZAPWPZJMGU-UHFFFAOYSA-N
XLogP1.82
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[ethylsulfonyl(methyl)amino]propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111066394
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine
CID 135038431
copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
CID 169422766
N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide
CID 166723390
N'-[3-(diethylamino)propyl]cyclopropanecarboximidamide
CID 63178602
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
1,1,3,3-tetramethyl-2-(5-methylhexyl)guanidine
CID 111813185
[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium
CID 6332029
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
CID 90350369
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111025375) is 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CCN(CC)CCCN=C(N(C)C)N(C)C.I.
What is the InChIKey of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is WTXYZAPWPZJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.HI/c1-7-16(8-2)11-9-10-13-12(14(3)4)15(5)6;/h7-11H2,1-6H3;1H.
What are the key properties of 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 356.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111025375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).