1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine

C12H23N3O — CID 95318568

IUPAC1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\NCC)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C12H23N3O/c1-4-8-14-12(13-5-2)15-10(3)11-7-6-9-16-11/h4,10-11H,1,5-9H2,2-3H3,(H2,13,14,15)/t10-,11-/m1/s1
InChIKeyAMZAAGOECVBMQD-GHMZBOCLSA-N
MW225.34 g/mol
LogP1.29
Rot. Bonds5

About 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine

1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine (PubChem CID 95318568) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine
PubChem CID95318568
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\NCC)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C12H23N3O/c1-4-8-14-12(13-5-2)15-10(3)11-7-6-9-16-11/h4,10-11H,1,5-9H2,2-3H3,(H2,13,14,15)/t10-,11-/m1/s1
InChIKeyAMZAAGOECVBMQD-GHMZBOCLSA-N
XLogP1.29
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.29
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

1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 104881996
1-(oxolan-2-yl)ethylthiourea
CID 43533883
1-cyclopropyl-2-(2-hydroxy-2-methylbutyl)-3-[1-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 75532747
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
CID 111316428
N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
CID 104531303
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[1-(oxolan-2-yl)ethyl]-2-propylguanidine
CID 75533369
1-ethyl-3-(5-methylhexan-2-yl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111203889
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1,3-diethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 86813294
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(3-methylbutyl)-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 111494918

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine (CID 95318568) is 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine is C=CC/N=C(\NCC)N[C@H](C)[C@H]1CCCO1.
What is the InChIKey of 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine?
The InChIKey is AMZAAGOECVBMQD-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-8-14-12(13-5-2)15-10(3)11-7-6-9-16-11/h4,10-11H,1,5-9H2,2-3H3,(H2,13,14,15)/t10-,11-/m1/s1.
What are the key properties of 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine?
1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine has a molecular weight of 225.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-prop-2-enylguanidine is sourced from PubChem (CID 95318568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).