2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide

C13H27IN4 — CID 111870622

IUPAC2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1)NCC1CCCN1C.I
InChIInChI=1S/C13H26N4.HI/c1-3-14-13(15-9-11-6-7-11)16-10-12-5-4-8-17(12)2;/h11-12H,3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyRPBCAEWLSGVNOI-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.66
Rot. Bonds5

About 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide

2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111870622) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111870622
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1)NCC1CCCN1C.I
InChIInChI=1S/C13H26N4.HI/c1-3-14-13(15-9-11-6-7-11)16-10-12-5-4-8-17(12)2;/h11-12H,3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyRPBCAEWLSGVNOI-UHFFFAOYSA-N
XLogP1.66
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.66
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

2-(cyclopropylmethyl)-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111261115
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 109418513
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 109418514
1-ethyl-2-[(2-methylphenyl)methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111360923
1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 110959393
1-ethyl-3-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 110976863
1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111899427
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111247458
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111592266
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111559419
1-[[[ethylamino-[(1-methylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572233
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111262922

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide (CID 111870622) is 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1CC1)NCC1CCCN1C.I.
What is the InChIKey of 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is RPBCAEWLSGVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-3-14-13(15-9-11-6-7-11)16-10-12-5-4-8-17(12)2;/h11-12H,3-10H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide?
2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111870622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).