1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C21H35N5O2 — CID 111315066

IUPAC1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(/NCc1ccnc(OC2CCCC2)c1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-21(2,26-10-12-27-13-11-26)16-25-20(22-3)24-15-17-8-9-23-19(14-17)28-18-6-4-5-7-18/h8-9,14,18H,4-7,10-13,15-16H2,1-3H3,(H2,22,24,25)
InChIKeyRMLMKMFECRHABY-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.18
Rot. Bonds7

About 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111315066) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111315066
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(/NCc1ccnc(OC2CCCC2)c1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-21(2,26-10-12-27-13-11-26)16-25-20(22-3)24-15-17-8-9-23-19(14-17)28-18-6-4-5-7-18/h8-9,14,18H,4-7,10-13,15-16H2,1-3H3,(H2,22,24,25)
InChIKeyRMLMKMFECRHABY-UHFFFAOYSA-N
XLogP2.18
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111049989
1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111093982
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111321349
1-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320189
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954374
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895593
1-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 86781351
1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111963826
2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119160012
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973205
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376084
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110977016

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111315066) is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is C/N=C(/NCc1ccnc(OC2CCCC2)c1)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is RMLMKMFECRHABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-21(2,26-10-12-27-13-11-26)16-25-20(22-3)24-15-17-8-9-23-19(14-17)28-18-6-4-5-7-18/h8-9,14,18H,4-7,10-13,15-16H2,1-3H3,(H2,22,24,25).
What are the key properties of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 389.54 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111315066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).