1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

C12H25IN4 — CID 110982006

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1CCN(CC)C1.I
InChIInChI=1S/C12H24N4.HI/c1-4-7-14-12(13-3)15-9-11-6-8-16(5-2)10-11;/h4,11H,1,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyIRPVMEMRVRVTKV-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.30
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110982006) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110982006
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1CCN(CC)C1.I
InChIInChI=1S/C12H24N4.HI/c1-4-7-14-12(13-3)15-9-11-6-8-16(5-2)10-11;/h4,11H,1,5-10H2,2-3H3,(H2,13,14,15);1H
InChIKeyIRPVMEMRVRVTKV-UHFFFAOYSA-N
XLogP1.30
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.30
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylpropyl)-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 71931267
2-(2-Methylpropyl)-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 71931268
1-Butyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 75462595
1-Butyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 75462596
1-butyl-3-prop-2-enyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014335
1-butyl-3-prop-2-enyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 96014336
1,2-Dimethyl-1-pent-4-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 109496583
1,2-Dimethyl-1-pent-4-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 109496584
3-Ethyl-1-methyl-1-pent-4-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 109499411
2-Methyl-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110982002
2-Methyl-1-prop-2-enyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110982003
1-Ethyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110982004

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 110982006) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC1CCN(CC)C1.I.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is IRPVMEMRVRVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c1-4-7-14-12(13-3)15-9-11-6-8-16(5-2)10-11;/h4,11H,1,5-10H2,2-3H3,(H2,13,14,15);1H.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110982006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).