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

C17H29N3O — CID 110053348

IUPAC1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
SMILESCCCCN(C)/C(=N\CCc1ccco1)NC1CCCC1
InChIInChI=1S/C17H29N3O/c1-3-4-13-20(2)17(19-15-8-5-6-9-15)18-12-11-16-10-7-14-21-16/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,18,19)
InChIKeyZQVLWOXVFOHTEU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.44
Rot. Bonds7

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

1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine (PubChem CID 110053348) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
PubChem CID110053348
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
SMILESCCCCN(C)/C(=N\CCc1ccco1)NC1CCCC1
InChIInChI=1S/C17H29N3O/c1-3-4-13-20(2)17(19-15-8-5-6-9-15)18-12-11-16-10-7-14-21-16/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,18,19)
InChIKeyZQVLWOXVFOHTEU-UHFFFAOYSA-N
XLogP3.44
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
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

3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
CID 110057732
2-[[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 110053281
3-butan-2-yl-1-butyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;hydroiodide
CID 110053337
3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 110053723
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110061502
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine?
The IUPAC name of 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine (CID 110053348) is 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine?
The canonical SMILES for 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine is CCCCN(C)/C(=N\CCc1ccco1)NC1CCCC1.
What is the InChIKey of 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine?
The InChIKey is ZQVLWOXVFOHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-4-13-20(2)17(19-15-8-5-6-9-15)18-12-11-16-10-7-14-21-16/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3,(H,18,19).
What are the key properties of 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine?
1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine has a molecular weight of 291.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine is sourced from PubChem (CID 110053348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).