1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

C15H26N4O — CID 110938826

IUPAC1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(C1CC1)N(C)C
InChIInChI=1S/C15H26N4O/c1-4-16-15(17-10-13-6-5-9-20-13)18-11-14(19(2)3)12-7-8-12/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyAUDGAKAGFJXURG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.67
Rot. Bonds7

About 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 110938826) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID110938826
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(C1CC1)N(C)C
InChIInChI=1S/C15H26N4O/c1-4-16-15(17-10-13-6-5-9-20-13)18-11-14(19(2)3)12-7-8-12/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyAUDGAKAGFJXURG-UHFFFAOYSA-N
XLogP1.67
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355038
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938324
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938328
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375493
1-ethyl-2-(furan-2-ylmethyl)-3-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110937349
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111853343
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-ethyl-2-(furan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790014

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 110938826) is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCC(C1CC1)N(C)C.
What is the InChIKey of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is AUDGAKAGFJXURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-16-15(17-10-13-6-5-9-20-13)18-11-14(19(2)3)12-7-8-12/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 278.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 110938826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).