2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine

C18H30N4O — CID 111178474

IUPAC2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OC2CCCC2)nc1)NCC(C)C
InChIInChI=1S/C18H30N4O/c1-4-19-18(21-11-14(2)3)22-13-15-9-10-17(20-12-15)23-16-7-5-6-8-16/h9-10,12,14,16H,4-8,11,13H2,1-3H3,(H2,19,21,22)
InChIKeyDILHXMYDDKONJW-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.11
Rot. Bonds7

About 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine

2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine (PubChem CID 111178474) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
PubChem CID111178474
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OC2CCCC2)nc1)NCC(C)C
InChIInChI=1S/C18H30N4O/c1-4-19-18(21-11-14(2)3)22-13-15-9-10-17(20-12-15)23-16-7-5-6-8-16/h9-10,12,14,16H,4-8,11,13H2,1-3H3,(H2,19,21,22)
InChIKeyDILHXMYDDKONJW-UHFFFAOYSA-N
XLogP3.11
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111940921
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524378
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139281
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137082
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111706254
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187727
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111261919
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906347
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646398
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111142858
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420257

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine?
The IUPAC name of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine (CID 111178474) is 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine is CCN/C(=N\Cc1ccc(OC2CCCC2)nc1)NCC(C)C.
What is the InChIKey of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine?
The InChIKey is DILHXMYDDKONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-19-18(21-11-14(2)3)22-13-15-9-10-17(20-12-15)23-16-7-5-6-8-16/h9-10,12,14,16H,4-8,11,13H2,1-3H3,(H2,19,21,22).
What are the key properties of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine?
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine has a molecular weight of 318.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111178474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).