1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine

C15H30N4 — CID 109496115

IUPAC1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=CCCCN(C)/C(=N\C)NCCCN1CCCC1
InChIInChI=1S/C15H30N4/c1-4-5-6-11-18(3)15(16-2)17-10-9-14-19-12-7-8-13-19/h4H,1,5-14H2,2-3H3,(H,16,17)
InChIKeyCHXKMVZSZIAJJA-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.95
Rot. Bonds8

About 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine

1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 109496115) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID109496115
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=CCCCN(C)/C(=N\C)NCCCN1CCCC1
InChIInChI=1S/C15H30N4/c1-4-5-6-11-18(3)15(16-2)17-10-9-14-19-12-7-8-13-19/h4H,1,5-14H2,2-3H3,(H,16,17)
InChIKeyCHXKMVZSZIAJJA-UHFFFAOYSA-N
XLogP1.95
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-1-methyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 109495910
2-Ethyl-1-methyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109495911
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496040
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine
CID 109496041
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-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
1,2-Dimethyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 109498431
1,2-Dimethyl-1-pent-4-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 109498432
1,2-Dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine;hydroiodide
CID 109499005
1,2-Dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-pent-4-enylguanidine
CID 109499006
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine (CID 109496115) is 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine is C=CCCCN(C)/C(=N\C)NCCCN1CCCC1.
What is the InChIKey of 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is CHXKMVZSZIAJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-5-6-11-18(3)15(16-2)17-10-9-14-19-12-7-8-13-19/h4H,1,5-14H2,2-3H3,(H,16,17).
What are the key properties of 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-pent-4-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 109496115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).