3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine

C17H29N3O2 — CID 109385768

IUPAC3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
SMILESCC(C)C/N=C(\NCCc1ccco1)N(C)CC1CCOC1
InChIInChI=1S/C17H29N3O2/c1-14(2)11-19-17(18-8-6-16-5-4-9-22-16)20(3)12-15-7-10-21-13-15/h4-5,9,14-15H,6-8,10-13H2,1-3H3,(H,18,19)
InChIKeyMINDUUVDRGZECE-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.39
Rot. Bonds7

About 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine

3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109385768) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109385768
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
SMILESCC(C)C/N=C(\NCCc1ccco1)N(C)CC1CCOC1
InChIInChI=1S/C17H29N3O2/c1-14(2)11-19-17(18-8-6-16-5-4-9-22-16)20(3)12-15-7-10-21-13-15/h4-5,9,14-15H,6-8,10-13H2,1-3H3,(H,18,19)
InChIKeyMINDUUVDRGZECE-UHFFFAOYSA-N
XLogP2.39
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
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

3-[2-(furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-propylguanidine;hydroiodide
CID 109383690
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 109386983
3-ethyl-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382150
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 109385784
2-[[[2-(furan-2-yl)ethylamino]-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110061189
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(2-methylprop-2-enyl)-2-(2-methylpropyl)guanidine
CID 110061400
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)guanidine
CID 110053342
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 110058074
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-3-ylmethyl)-1-pent-4-enylguanidine
CID 110057708
3-[2-(furan-2-yl)ethyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 110059768
3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385010
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058984

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine (CID 109385768) is 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine is CC(C)C/N=C(\NCCc1ccco1)N(C)CC1CCOC1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is MINDUUVDRGZECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14(2)11-19-17(18-8-6-16-5-4-9-22-16)20(3)12-15-7-10-21-13-15/h4-5,9,14-15H,6-8,10-13H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 307.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109385768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).