1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine

C15H31N3O — CID 110992677

IUPAC1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCCC(C)C)NC1CCCC1
InChIInChI=1S/C15H31N3O/c1-4-16-15(18-14-7-5-6-8-14)17-10-12-19-11-9-13(2)3/h13-14H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyBVTDCRALZCFQHX-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.55
Rot. Bonds8

About 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine

1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine (PubChem CID 110992677) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
PubChem CID110992677
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCCC(C)C)NC1CCCC1
InChIInChI=1S/C15H31N3O/c1-4-16-15(18-14-7-5-6-8-14)17-10-12-19-11-9-13(2)3/h13-14H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyBVTDCRALZCFQHX-UHFFFAOYSA-N
XLogP2.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
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'}

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Related Compounds

1,3-diethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 110925969
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
N-cyclohexyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111970749
1-cyclopropyl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 110987969
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111779625
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
2-(2-ethoxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318357
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109396683
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830404
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine (CID 110992677) is 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine is CCN/C(=N\CCOCCC(C)C)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
The InChIKey is BVTDCRALZCFQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-16-15(18-14-7-5-6-8-14)17-10-12-19-11-9-13(2)3/h13-14H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine has a molecular weight of 269.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine is sourced from PubChem (CID 110992677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).