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

C13H21N3O2 — CID 111965367

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1(CO)CC1
InChIInChI=1S/C13H21N3O2/c1-2-14-12(15-8-11-4-3-7-18-11)16-9-13(10-17)5-6-13/h3-4,7,17H,2,5-6,8-10H2,1H3,(H2,14,15,16)
InChIKeyBQNZMTQHMYAGLE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds6

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

1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine (PubChem CID 111965367) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
PubChem CID111965367
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1(CO)CC1
InChIInChI=1S/C13H21N3O2/c1-2-14-12(15-8-11-4-3-7-18-11)16-9-13(10-17)5-6-13/h3-4,7,17H,2,5-6,8-10H2,1H3,(H2,14,15,16)
InChIKeyBQNZMTQHMYAGLE-UHFFFAOYSA-N
XLogP1.11
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
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-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111965631
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938600
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110939005
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807
1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111965879
1-ethyl-2-(furan-2-ylmethyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 110937224
1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111965623
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine (CID 111965367) is 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine is CCN/C(=N\Cc1ccco1)NCC1(CO)CC1.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
The InChIKey is BQNZMTQHMYAGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-14-12(15-8-11-4-3-7-18-11)16-9-13(10-17)5-6-13/h3-4,7,17H,2,5-6,8-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine has a molecular weight of 251.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine is sourced from PubChem (CID 111965367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).