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

C11H22N4 — CID 111065380

IUPAC2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCN(C)C1
InChIInChI=1S/C11H22N4/c1-9(2)6-13-11(12)14-7-10-4-5-15(3)8-10/h10H,1,4-8H2,2-3H3,(H3,12,13,14)
InChIKeyBRYWXEUAQZYYHT-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.42
Rot. Bonds4

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

2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 111065380) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
PubChem CID111065380
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCN(C)C1
InChIInChI=1S/C11H22N4/c1-9(2)6-13-11(12)14-7-10-4-5-15(3)8-10/h10H,1,4-8H2,2-3H3,(H3,12,13,14)
InChIKeyBRYWXEUAQZYYHT-UHFFFAOYSA-N
XLogP0.42
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.42
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-methylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine (CID 111065380) is 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine is C=C(C)C/N=C(\N)NCC1CCN(C)C1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is BRYWXEUAQZYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)6-13-11(12)14-7-10-4-5-15(3)8-10/h10H,1,4-8H2,2-3H3,(H3,12,13,14).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
2-(2-methylprop-2-enyl)-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 210.32 g/mol, XLogP of 0.42, 4 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-methylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111065380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).