1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine

C20H35N5O2 — CID 111007345

IUPAC1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
SMILESC/N=C(/NCCCCN1CCOCC1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H35N5O2/c1-21-20(22-8-2-3-9-24-12-15-26-16-13-24)23-17-18(19-7-6-14-27-19)25-10-4-5-11-25/h6-7,14,18H,2-5,8-13,15-17H2,1H3,(H2,21,22,23)
InChIKeyTWXRWNKUBSKHIM-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.69
Rot. Bonds9

About 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine (PubChem CID 111007345) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
PubChem CID111007345
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
SMILESC/N=C(/NCCCCN1CCOCC1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H35N5O2/c1-21-20(22-8-2-3-9-24-12-15-26-16-13-24)23-17-18(19-7-6-14-27-19)25-10-4-5-11-25/h6-7,14,18H,2-5,8-13,15-17H2,1H3,(H2,21,22,23)
InChIKeyTWXRWNKUBSKHIM-UHFFFAOYSA-N
XLogP1.69
TPSA65.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine
CID 111007793
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111008976
2-[[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111304890
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111762143
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110975494
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111771578
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 111008824
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111283703
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111008255
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111355359
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941476
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008205

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine (CID 111007345) is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine is C/N=C(/NCCCCN1CCOCC1)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
The InChIKey is TWXRWNKUBSKHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-21-20(22-8-2-3-9-24-12-15-26-16-13-24)23-17-18(19-7-6-14-27-19)25-10-4-5-11-25/h6-7,14,18H,2-5,8-13,15-17H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine?
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine has a molecular weight of 377.53 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 111007345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).