1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide

C11H23IN4O2 — CID 120606171

IUPAC1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC1CCCC(=O)N1.I
InChIInChI=1S/C11H22N4O2.HI/c1-8(7-17-2)14-11(12)13-6-9-4-3-5-10(16)15-9;/h8-9H,3-7H2,1-2H3,(H,15,16)(H3,12,13,14);1H
InChIKeyQDUJJFDVFAXKEL-UHFFFAOYSA-N
MW370.24 g/mol
LogP0.21
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide

1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 120606171) has the molecular formula C11H23IN4O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
PubChem CID120606171
Molecular FormulaC11H23IN4O2
Molecular Weight370.24 g/mol
Exact Mass370.09
IUPAC Name1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC1CCCC(=O)N1.I
InChIInChI=1S/C11H22N4O2.HI/c1-8(7-17-2)14-11(12)13-6-9-4-3-5-10(16)15-9;/h8-9H,3-7H2,1-2H3,(H,15,16)(H3,12,13,14);1H
InChIKeyQDUJJFDVFAXKEL-UHFFFAOYSA-N
XLogP0.21
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
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-cyclopropyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
CID 120606223
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
1-cyclohexyl-2-[(6-oxopiperidin-2-yl)methyl]guanidine
CID 120606194
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 120606169
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090902
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800036
2-[(2-tert-butyloxan-3-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111816129
2-[(1-ethylpiperidin-2-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111803465
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111073312
1-(1-methoxypropan-2-yl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077574

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide (CID 120606171) is 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide is COCC(C)N/C(N)=N/CC1CCCC(=O)N1.I.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is QDUJJFDVFAXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.HI/c1-8(7-17-2)14-11(12)13-6-9-4-3-5-10(16)15-9;/h8-9H,3-7H2,1-2H3,(H,15,16)(H3,12,13,14);1H.
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide?
1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 370.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120606171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).