1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

C18H34N4O — CID 111355272

IUPAC1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESCCN(CC)C(CN/C(=N\C)NCCc1ccco1)CC(C)C
InChIInChI=1S/C18H34N4O/c1-6-22(7-2)16(13-15(3)4)14-21-18(19-5)20-11-10-17-9-8-12-23-17/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H2,19,20,21)
InChIKeyHEDMTDKVYHYOOS-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.74
Rot. Bonds10

About 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (PubChem CID 111355272) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
PubChem CID111355272
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESCCN(CC)C(CN/C(=N\C)NCCc1ccco1)CC(C)C
InChIInChI=1S/C18H34N4O/c1-6-22(7-2)16(13-15(3)4)14-21-18(19-5)20-11-10-17-9-8-12-23-17/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H2,19,20,21)
InChIKeyHEDMTDKVYHYOOS-UHFFFAOYSA-N
XLogP2.74
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.74
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-(furan-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111355969
1-[2-[benzyl(methyl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111785660
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110945378
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111501187
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977065
1-[3-[di(propan-2-yl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111692545
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355038
1-(2-anilino-3-methylbutyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353426
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 111491474
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
CID 111660023
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111516755
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111246575

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (CID 111355272) is 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is CCN(CC)C(CN/C(=N\C)NCCc1ccco1)CC(C)C.
What is the InChIKey of 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The InChIKey is HEDMTDKVYHYOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-6-22(7-2)16(13-15(3)4)14-21-18(19-5)20-11-10-17-9-8-12-23-17/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine has a molecular weight of 322.50 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111355272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).