2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine

C18H30N4O — CID 111049940

IUPAC2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/Cc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H30N4O/c1-2-3-4-7-11-21-18(19)22-14-15-10-12-20-17(13-15)23-16-8-5-6-9-16/h10,12-13,16H,2-9,11,14H2,1H3,(H3,19,21,22)
InChIKeyOPRPMGAVSLKDTL-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.39
Rot. Bonds9

About 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine

2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine (PubChem CID 111049940) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
PubChem CID111049940
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/Cc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H30N4O/c1-2-3-4-7-11-21-18(19)22-14-15-10-12-20-17(13-15)23-16-8-5-6-9-16/h10,12-13,16H,2-9,11,14H2,1H3,(H3,19,21,22)
InChIKeyOPRPMGAVSLKDTL-UHFFFAOYSA-N
XLogP3.39
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111049928
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
1-butyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 111041567
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111049994
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111808141
1-cyclopentyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110989668
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406180
1-butyl-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111051125
1-hexyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049024
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345484

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine?
The IUPAC name of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine (CID 111049940) is 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine.
What is the SMILES notation for 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine?
The canonical SMILES for 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine is CCCCCCN/C(N)=N/Cc1ccnc(OC2CCCC2)c1.
What is the InChIKey of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine?
The InChIKey is OPRPMGAVSLKDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-2-3-4-7-11-21-18(19)22-14-15-10-12-20-17(13-15)23-16-8-5-6-9-16/h10,12-13,16H,2-9,11,14H2,1H3,(H3,19,21,22).
What are the key properties of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine?
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine has a molecular weight of 318.46 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine is sourced from PubChem (CID 111049940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).