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

C13H26N4 — CID 136921154

IUPAC1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)CN1CCCC1
InChIInChI=1S/C13H26N4/c1-11(2)8-15-13(14)16-9-12(3)10-17-6-4-5-7-17/h12H,1,4-10H2,2-3H3,(H3,14,15,16)
InChIKeyNNVPGBBJUVKZMN-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.20
Rot. Bonds6

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

1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 136921154) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID136921154
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)CN1CCCC1
InChIInChI=1S/C13H26N4/c1-11(2)8-15-13(14)16-9-12(3)10-17-6-4-5-7-17/h12H,1,4-10H2,2-3H3,(H3,14,15,16)
InChIKeyNNVPGBBJUVKZMN-UHFFFAOYSA-N
XLogP1.20
TPSA53.65 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 ≤ 51.20
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-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111065479
2-(2-Methylprop-2-enyl)-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111065480
N'-(3-methylbut-2-enyl)pyrrolidine-1-carboximidamide
CID 10866957
2-(2-Methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991543
2-Methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991547
2-(2-Methylpropyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991553
1-Ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
2-(2-Methyl-3-pyrrolidin-1-ylpropyl)-1-propylguanidine
CID 62991695
2-Methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110980070
2-Methyl-1-prop-2-enyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 110980071
1-Ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110980072
1-Ethyl-3-prop-2-enyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 110980073

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (CID 136921154) is 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is C=C(C)CN/C(N)=N/CC(C)CN1CCCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is NNVPGBBJUVKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)8-15-13(14)16-9-12(3)10-17-6-4-5-7-17/h12H,1,4-10H2,2-3H3,(H3,14,15,16).
What are the key properties of 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 136921154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).