1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine

C12H24N4 — CID 110982001

IUPAC1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC1CCN(C)C1)NCC
InChIInChI=1S/C12H24N4/c1-4-7-14-12(13-5-2)15-9-11-6-8-16(3)10-11/h4,11H,1,5-10H2,2-3H3,(H2,13,14,15)
InChIKeyYGIVRQPINLLVAL-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.68
Rot. Bonds5

About 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine

1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine (PubChem CID 110982001) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
PubChem CID110982001
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC1CCN(C)C1)NCC
InChIInChI=1S/C12H24N4/c1-4-7-14-12(13-5-2)15-9-11-6-8-16(3)10-11/h4,11H,1,5-10H2,2-3H3,(H2,13,14,15)
InChIKeyYGIVRQPINLLVAL-UHFFFAOYSA-N
XLogP0.68
TPSA39.66 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 ≤ 50.68
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 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine (CID 110982001) is 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine is C=CCN/C(=N/CC1CCN(C)C1)NCC.
What is the InChIKey of 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
The InChIKey is YGIVRQPINLLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-7-14-12(13-5-2)15-9-11-6-8-16(3)10-11/h4,11H,1,5-10H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine has a molecular weight of 224.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110982001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).