1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine

C12H24N4 — CID 100673187

IUPAC1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC[C@H]1CCCN1CC
InChIInChI=1S/C12H24N4/c1-4-16-7-5-6-11(16)9-15-12(13)14-8-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)/t11-/m1/s1
InChIKeyMWBIXZBUBSFCGK-LLVKDONJSA-N
MW224.35 g/mol
LogP0.95
Rot. Bonds5

About 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine

1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 100673187) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID100673187
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC[C@H]1CCCN1CC
InChIInChI=1S/C12H24N4/c1-4-16-7-5-6-11(16)9-15-12(13)14-8-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)/t11-/m1/s1
InChIKeyMWBIXZBUBSFCGK-LLVKDONJSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.95
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]guanidine
CID 75533014
2-(2-Methylprop-2-enyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 75533013
2-(2-methylprop-2-enyl)-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761549
2-(2-methylprop-2-enyl)-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 95761550
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
1-[(1-Ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 62359525
1-Ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 62362843
2-[(1-Ethylpyrrolidin-2-yl)methyl]-1-propylguanidine
CID 62362844
2-[(1-Ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylguanidine
CID 62362845
1-Tert-butyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 62363060
1-[(1-Ethylpyrrolidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62363061
2-(2-Methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 103646378

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine (CID 100673187) is 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NC[C@H]1CCCN1CC.
What is the InChIKey of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is MWBIXZBUBSFCGK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16-7-5-6-11(16)9-15-12(13)14-8-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)/t11-/m1/s1.
What are the key properties of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 100673187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).