1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine

C17H27N3O — CID 111353446

IUPAC1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
SMILESc1coc(CCN/C(=N\CC2CC2)NC2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-5-15(6-3-1)20-17(19-13-14-8-9-14)18-11-10-16-7-4-12-21-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,18,19,20)
InChIKeyDLQYPZBSOJXOEW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.10
Rot. Bonds6

About 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine

1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111353446) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111353446
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
SMILESc1coc(CCN/C(=N\CC2CC2)NC2CCCCC2)c1
InChIInChI=1S/C17H27N3O/c1-2-5-15(6-3-1)20-17(19-13-14-8-9-14)18-11-10-16-7-4-12-21-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,18,19,20)
InChIKeyDLQYPZBSOJXOEW-UHFFFAOYSA-N
XLogP3.10
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.10
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'}

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Related Compounds

1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 111842135
1-cyclohexyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110061577
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110054457
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 111160573
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110991950
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110052532
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine (CID 111353446) is 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine is c1coc(CCN/C(=N\CC2CC2)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is DLQYPZBSOJXOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-5-15(6-3-1)20-17(19-13-14-8-9-14)18-11-10-16-7-4-12-21-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine?
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 289.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111353446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).