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

C13H26N4 — CID 111081823

IUPAC2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCN(CCC)C1
InChIInChI=1S/C13H26N4/c1-4-6-17-7-5-12(10-17)9-16-13(14)15-8-11(2)3/h12H,2,4-10H2,1,3H3,(H3,14,15,16)
InChIKeyXHCBDMSEBMLKLM-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.20
Rot. Bonds6

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

2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 111081823) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine
PubChem CID111081823
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCN(CCC)C1
InChIInChI=1S/C13H26N4/c1-4-6-17-7-5-12(10-17)9-16-13(14)15-8-11(2)3/h12H,2,4-10H2,1,3H3,(H3,14,15,16)
InChIKeyXHCBDMSEBMLKLM-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-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
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
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
CID 110982005
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
2-Methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62313634
1-[(1-Ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 62314182
1-Ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 62362863
2-[(1-Ethylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 62362864

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine (CID 111081823) is 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine is C=C(C)C/N=C(\N)NCC1CCN(CCC)C1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is XHCBDMSEBMLKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-6-17-7-5-12(10-17)9-16-13(14)15-8-11(2)3/h12H,2,4-10H2,1,3H3,(H3,14,15,16).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine?
2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]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 2-(2-methylprop-2-enyl)-1-[(1-propylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111081823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).