1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide

C10H25IN4 — CID 110916967

IUPAC1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCN(C)CC)NCC.I
InChIInChI=1S/C10H24N4.HI/c1-5-11-10(12-6-2)13-8-9-14(4)7-3;/h5-9H2,1-4H3,(H2,11,12,13);1H
InChIKeyYDGPGQZMOJNWGD-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.13
Rot. Bonds6

About 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide

1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide (PubChem CID 110916967) has the molecular formula C10H25IN4 and a molecular weight of 328.24 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
PubChem CID110916967
Molecular FormulaC10H25IN4
Molecular Weight328.24 g/mol
Exact Mass328.11
IUPAC Name1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCN(C)CC)NCC.I
InChIInChI=1S/C10H24N4.HI/c1-5-11-10(12-6-2)13-8-9-14(4)7-3;/h5-9H2,1-4H3,(H2,11,12,13);1H
InChIKeyYDGPGQZMOJNWGD-UHFFFAOYSA-N
XLogP1.13
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 51.13
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-prop-2-ynylguanidine
CID 136922237
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-hexylguanidine;hydroiodide
CID 111161396
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237729
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111883044
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349083
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111230673
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295944
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017664

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide (CID 110916967) is 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide is CCNC(=NCCN(C)CC)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is YDGPGQZMOJNWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.HI/c1-5-11-10(12-6-2)13-8-9-14(4)7-3;/h5-9H2,1-4H3,(H2,11,12,13);1H.
What are the key properties of 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide?
1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 328.24 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110916967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).