1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

C16H25N3O — CID 111501187

IUPAC1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1ccco1)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H25N3O/c1-17-16(18-9-8-14-3-2-10-20-14)19-11-15(12-4-5-12)13-6-7-13/h2-3,10,12-13,15H,4-9,11H2,1H3,(H2,17,18,19)
InChIKeyAMQVFYFWHAZZTG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.42
Rot. Bonds7

About 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (PubChem CID 111501187) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
PubChem CID111501187
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1ccco1)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H25N3O/c1-17-16(18-9-8-14-3-2-10-20-14)19-11-15(12-4-5-12)13-6-7-13/h2-3,10,12-13,15H,4-9,11H2,1H3,(H2,17,18,19)
InChIKeyAMQVFYFWHAZZTG-UHFFFAOYSA-N
XLogP2.42
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355038
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111499884
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111246575
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111355969
1-(2-anilino-3-methylbutyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353426
1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111576372
1-(2-chloroprop-2-enyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 119141173
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111354281
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111355769
1-(2,2-dicyclopropylethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111500308
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111516755
1-[2-(diethylamino)-4-methylpentyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111355272

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (CID 111501187) is 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is C/N=C(/NCCc1ccco1)NCC(C1CC1)C1CC1.
What is the InChIKey of 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The InChIKey is AMQVFYFWHAZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-16(18-9-8-14-3-2-10-20-14)19-11-15(12-4-5-12)13-6-7-13/h2-3,10,12-13,15H,4-9,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine has a molecular weight of 275.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111501187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).