2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine

C13H26N4 — CID 110980071

IUPAC2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
SMILESC=CCN/C(=N\C)NCC1CCN(CCC)C1
InChIInChI=1S/C13H26N4/c1-4-7-15-13(14-3)16-10-12-6-9-17(11-12)8-5-2/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16)
InChIKeyXVRLDTLMYSZWGY-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.07
Rot. Bonds6

About 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine

2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 110980071) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
PubChem CID110980071
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
SMILESC=CCN/C(=N\C)NCC1CCN(CCC)C1
InChIInChI=1S/C13H26N4/c1-4-7-15-13(14-3)16-10-12-6-9-17(11-12)8-5-2/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16)
InChIKeyXVRLDTLMYSZWGY-UHFFFAOYSA-N
XLogP1.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.07
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': '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
CID 109499412
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 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine (CID 110980071) is 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine is C=CCN/C(=N\C)NCC1CCN(CCC)C1.
What is the InChIKey of 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is XVRLDTLMYSZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-7-15-13(14-3)16-10-12-6-9-17(11-12)8-5-2/h4,12H,1,5-11H2,2-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
2-methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.07, 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-[(1-propylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 110980071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).