2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine

C19H34N4O — CID 110053986

IUPAC2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine
SMILESCCCC/N=C(\NCCc1ccco1)N(C)CC1CCCN1CC
InChIInChI=1S/C19H34N4O/c1-4-6-12-20-19(21-13-11-18-10-8-15-24-18)22(3)16-17-9-7-14-23(17)5-2/h8,10,15,17H,4-7,9,11-14,16H2,1-3H3,(H,20,21)
InChIKeyVIDPDIZOIRVXDK-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.98
Rot. Bonds9

About 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine

2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine (PubChem CID 110053986) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine
PubChem CID110053986
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine
SMILESCCCC/N=C(\NCCc1ccco1)N(C)CC1CCCN1CC
InChIInChI=1S/C19H34N4O/c1-4-6-12-20-19(21-13-11-18-10-8-15-24-18)22(3)16-17-9-7-14-23(17)5-2/h8,10,15,17H,4-7,9,11-14,16H2,1-3H3,(H,20,21)
InChIKeyVIDPDIZOIRVXDK-UHFFFAOYSA-N
XLogP2.98
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111491336
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 110053900
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111159409
2-(cyclopropylmethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine
CID 111842054
1-cyclopent-3-en-1-yl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110059681
4-[[N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxamide;hydroiodide
CID 110055015
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111159408
3-[2-(furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-propylguanidine;hydroiodide
CID 109383690
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111770058
1-(2-ethoxyethyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842213
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 110055501
2-[[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038754

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine?
The IUPAC name of 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine (CID 110053986) is 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine.
What is the SMILES notation for 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine?
The canonical SMILES for 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine is CCCC/N=C(\NCCc1ccco1)N(C)CC1CCCN1CC.
What is the InChIKey of 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine?
The InChIKey is VIDPDIZOIRVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-4-6-12-20-19(21-13-11-18-10-8-15-24-18)22(3)16-17-9-7-14-23(17)5-2/h8,10,15,17H,4-7,9,11-14,16H2,1-3H3,(H,20,21).
What are the key properties of 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine?
2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine has a molecular weight of 334.51 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methylguanidine is sourced from PubChem (CID 110053986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).