2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C13H28IN3O — CID 111062793

IUPAC2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CCCC1CCCC1.I
InChIInChI=1S/C13H27N3O.HI/c1-11(10-17-2)16-13(14)15-9-5-8-12-6-3-4-7-12;/h11-12H,3-10H2,1-2H3,(H3,14,15,16);1H
InChIKeyCAVUINCRGKMGSB-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.51
Rot. Bonds7

About 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111062793) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111062793
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC Name2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CCCC1CCCC1.I
InChIInChI=1S/C13H27N3O.HI/c1-11(10-17-2)16-13(14)15-9-5-8-12-6-3-4-7-12;/h11-12H,3-10H2,1-2H3,(H3,14,15,16);1H
InChIKeyCAVUINCRGKMGSB-UHFFFAOYSA-N
XLogP2.51
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
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-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
1-(1-methoxypropan-2-yl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111041892
1-(1-methoxypropan-2-yl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111822494
1-(1-methoxypropan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769816
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096550
1-(1-methoxypropan-2-yl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818576
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090902
tert-butyl 7-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]heptanoate;hydroiodide
CID 111811333
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111062793) is 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/CCCC1CCCC1.I.
What is the InChIKey of 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is CAVUINCRGKMGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-11(10-17-2)16-13(14)15-9-5-8-12-6-3-4-7-12;/h11-12H,3-10H2,1-2H3,(H3,14,15,16);1H.
What are the key properties of 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 369.29 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111062793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).