2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide

C13H27IN4 — CID 110927036

IUPAC2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C(C)C)N1CCCC1.I
InChIInChI=1S/C13H26N4.HI/c1-4-7-15-13(14)16-10-12(11(2)3)17-8-5-6-9-17;/h4,11-12H,1,5-10H2,2-3H3,(H3,14,15,16);1H
InChIKeySSFTVTKTNKAOPX-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.82
Rot. Bonds6

About 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide

2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide (PubChem CID 110927036) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide
PubChem CID110927036
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C(C)C)N1CCCC1.I
InChIInChI=1S/C13H26N4.HI/c1-4-7-15-13(14)16-10-12(11(2)3)17-8-5-6-9-17;/h4,11-12H,1,5-10H2,2-3H3,(H3,14,15,16);1H
InChIKeySSFTVTKTNKAOPX-UHFFFAOYSA-N
XLogP1.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.82
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-Methyl-1-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 71879086
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472370
2-Prop-2-enyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110916959
1-Ethyl-2-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110980590
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916106
1-[2-[Bis(prop-2-enyl)amino]-3-methylbutyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111916107
7-Propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79496892
5-Propan-2-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496901
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 100673187
1,2-Dimethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-pent-4-enylguanidine;hydroiodide
CID 109497741
1,2-Dimethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-pent-4-enylguanidine
CID 109497742
2-Methyl-1-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-3-prop-2-enylguanidine;hydroiodide
CID 109699080

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide (CID 110927036) is 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CC(C(C)C)N1CCCC1.I.
What is the InChIKey of 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is SSFTVTKTNKAOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-4-7-15-13(14)16-10-12(11(2)3)17-8-5-6-9-17;/h4,11-12H,1,5-10H2,2-3H3,(H3,14,15,16);1H.
What are the key properties of 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide?
2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyrrolidin-1-ylbutyl)-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110927036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).