3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine

C18H29N3O — CID 110057732

IUPAC3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCc1ccco1)NC1CCCC1
InChIInChI=1S/C18H29N3O/c1-3-4-7-14-21(2)18(20-16-9-5-6-10-16)19-13-12-17-11-8-15-22-17/h3,8,11,15-16H,1,4-7,9-10,12-14H2,2H3,(H,19,20)
InChIKeyVBHVDSJDSMJPKV-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.61
Rot. Bonds8

About 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine

3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine (PubChem CID 110057732) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
PubChem CID110057732
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\CCc1ccco1)NC1CCCC1
InChIInChI=1S/C18H29N3O/c1-3-4-7-14-21(2)18(20-16-9-5-6-10-16)19-13-12-17-11-8-15-22-17/h3,8,11,15-16H,1,4-7,9-10,12-14H2,2H3,(H,19,20)
InChIKeyVBHVDSJDSMJPKV-UHFFFAOYSA-N
XLogP3.61
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110053348
2-[[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 110053281
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
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-3-ylmethyl)-1-pent-4-enylguanidine
CID 110057708
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
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-enylguanidine;hydroiodide
CID 136922944
3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483459

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine?
The IUPAC name of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine (CID 110057732) is 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine.
What is the SMILES notation for 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine?
The canonical SMILES for 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\CCc1ccco1)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine?
The InChIKey is VBHVDSJDSMJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-7-14-21(2)18(20-16-9-5-6-10-16)19-13-12-17-11-8-15-22-17/h3,8,11,15-16H,1,4-7,9-10,12-14H2,2H3,(H,19,20).
What are the key properties of 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine?
3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine has a molecular weight of 303.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-pent-4-enylguanidine is sourced from PubChem (CID 110057732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).