1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine

C17H32N4O — CID 110977065

IUPAC1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
SMILESCCN(CC)C(CN/C(=N/C)NCCC(C)C)c1ccco1
InChIInChI=1S/C17H32N4O/c1-6-21(7-2)15(16-9-8-12-22-16)13-20-17(18-5)19-11-10-14(3)4/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3,(H2,18,19,20)
InChIKeyVZQYFNYVHSSHDQ-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.87
Rot. Bonds9

About 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine (PubChem CID 110977065) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
PubChem CID110977065
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
SMILESCCN(CC)C(CN/C(=N/C)NCCC(C)C)c1ccco1
InChIInChI=1S/C17H32N4O/c1-6-21(7-2)15(16-9-8-12-22-16)13-20-17(18-5)19-11-10-14(3)4/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3,(H2,18,19,20)
InChIKeyVZQYFNYVHSSHDQ-UHFFFAOYSA-N
XLogP2.87
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978510
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473360
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973260
1-(3-butoxypropyl)-3-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111239663
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945108
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232093
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-hexyl-2-methylguanidine
CID 111161109
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967645
3-[2-[[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668529
3-[2-[[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631631
1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355272
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine (CID 110977065) is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine is CCN(CC)C(CN/C(=N/C)NCCC(C)C)c1ccco1.
What is the InChIKey of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine?
The InChIKey is VZQYFNYVHSSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-6-21(7-2)15(16-9-8-12-22-16)13-20-17(18-5)19-11-10-14(3)4/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine?
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine has a molecular weight of 308.47 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine is sourced from PubChem (CID 110977065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).