1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide

C12H27IN4O — CID 110988571

IUPAC1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCN(C)CCOC)NC1CC1.I
InChIInChI=1S/C12H26N4O.HI/c1-4-13-12(15-11-5-6-11)14-7-8-16(2)9-10-17-3;/h11H,4-10H2,1-3H3,(H2,13,14,15);1H
InChIKeyRLHGKENRFVCBND-UHFFFAOYSA-N
MW370.28 g/mol
LogP0.90
Rot. Bonds8

About 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide

1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide (PubChem CID 110988571) has the molecular formula C12H27IN4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
PubChem CID110988571
Molecular FormulaC12H27IN4O
Molecular Weight370.28 g/mol
Exact Mass370.12
IUPAC Name1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCN(C)CCOC)NC1CC1.I
InChIInChI=1S/C12H26N4O.HI/c1-4-13-12(15-11-5-6-11)14-7-8-16(2)9-10-17-3;/h11H,4-10H2,1-3H3,(H2,13,14,15);1H
InChIKeyRLHGKENRFVCBND-UHFFFAOYSA-N
XLogP0.90
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 50.90
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 110958012
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256762
1-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-methylcyclopropyl)guanidine
CID 111962431
1-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915380
2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
CID 111549121
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111920908
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
CID 111190692
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-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide (CID 110988571) is 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide is CCN/C(=N\CCN(C)CCOC)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is RLHGKENRFVCBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.HI/c1-4-13-12(15-11-5-6-11)14-7-8-16(2)9-10-17-3;/h11H,4-10H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110988571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).