2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine

C12H24N4 — CID 110982649

IUPAC2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=CCN/C(=N\C)NCCCN1CCCC1
InChIInChI=1S/C12H24N4/c1-3-7-14-12(13-2)15-8-6-11-16-9-4-5-10-16/h3H,1,4-11H2,2H3,(H2,13,14,15)
InChIKeyUWQNFTAPCJJTNY-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.82
Rot. Bonds6

About 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine

2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 110982649) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID110982649
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=CCN/C(=N\C)NCCCN1CCCC1
InChIInChI=1S/C12H24N4/c1-3-7-14-12(13-2)15-8-6-11-16-9-4-5-10-16/h3H,1,4-11H2,2H3,(H2,13,14,15)
InChIKeyUWQNFTAPCJJTNY-UHFFFAOYSA-N
XLogP0.82
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.82
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': '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
CID 71879087
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-Ethyl-2-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110980591
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
1-Ethyl-3-prop-2-enyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110982005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine (CID 110982649) is 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine is C=CCN/C(=N\C)NCCCN1CCCC1.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is UWQNFTAPCJJTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-7-14-12(13-2)15-8-6-11-16-9-4-5-10-16/h3H,1,4-11H2,2H3,(H2,13,14,15).
What are the key properties of 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine?
2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-3-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 110982649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).