1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine

C20H34N4O2 — CID 111021801

IUPAC1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCC(C/N=C(\NCCc1ccco1)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-17(24-11-14-25-15-12-24)16-22-20(23-18-6-3-2-4-7-18)21-10-9-19-8-5-13-26-19/h5,8,13,17-18H,2-4,6-7,9-12,14-16H2,1H3,(H2,21,22,23)
InChIKeyRLOYVWZBVVPKQE-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.41
Rot. Bonds7

About 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine

1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111021801) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111021801
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCC(C/N=C(\NCCc1ccco1)NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C20H34N4O2/c1-17(24-11-14-25-15-12-24)16-22-20(23-18-6-3-2-4-7-18)21-10-9-19-8-5-13-26-19/h5,8,13,17-18H,2-4,6-7,9-12,14-16H2,1H3,(H2,21,22,23)
InChIKeyRLOYVWZBVVPKQE-UHFFFAOYSA-N
XLogP2.41
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 110056458
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111860298
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111715828
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317021
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 110053534
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine
CID 110054786
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
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-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110991950

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111021801) is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is CC(C/N=C(\NCCc1ccco1)NC1CCCCC1)N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is RLOYVWZBVVPKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-17(24-11-14-25-15-12-24)16-22-20(23-18-6-3-2-4-7-18)21-10-9-19-8-5-13-26-19/h5,8,13,17-18H,2-4,6-7,9-12,14-16H2,1H3,(H2,21,22,23).
What are the key properties of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 362.52 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).