2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C12H27IN4O — CID 111096550

IUPAC2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN(CC/N=C(\N)NC(C)COC)C1CC1.I
InChIInChI=1S/C12H26N4O.HI/c1-4-16(11-5-6-11)8-7-14-12(13)15-10(2)9-17-3;/h10-11H,4-9H2,1-3H3,(H3,13,14,15);1H
InChIKeyMGGWSYMXTOUKQX-UHFFFAOYSA-N
MW370.28 g/mol
LogP1.03
Rot. Bonds8

About 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111096550) has the molecular formula C12H27IN4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111096550
Molecular FormulaC12H27IN4O
Molecular Weight370.28 g/mol
Exact Mass370.12
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN(CC/N=C(\N)NC(C)COC)C1CC1.I
InChIInChI=1S/C12H26N4O.HI/c1-4-16(11-5-6-11)8-7-14-12(13)15-10(2)9-17-3;/h10-11H,4-9H2,1-3H3,(H3,13,14,15);1H
InChIKeyMGGWSYMXTOUKQX-UHFFFAOYSA-N
XLogP1.03
TPSA62.88 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 ≤ 51.03
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

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111096484
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111099233
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096379
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111237120
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
1-cyclopropyl-2-[2-[cyclopropyl(ethyl)amino]ethyl]guanidine
CID 103640269
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
2-[3-[ethyl(methylsulfonyl)amino]propyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111076283
1-(1-methoxypropan-2-yl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111041892
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111073312
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111096550) is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN(CC/N=C(\N)NC(C)COC)C1CC1.I.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is MGGWSYMXTOUKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.HI/c1-4-16(11-5-6-11)8-7-14-12(13)15-10(2)9-17-3;/h10-11H,4-9H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111096550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).