1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine

C17H28N4O — CID 111946769

IUPAC1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCCC1CCCC1)NCc1ccc(OC)nc1
InChIInChI=1S/C17H28N4O/c1-18-17(19-11-5-8-14-6-3-4-7-14)21-13-15-9-10-16(22-2)20-12-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H2,18,19,21)
InChIKeyFMKGHGPINSVFJI-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.73
Rot. Bonds7

About 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine

1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine (PubChem CID 111946769) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
PubChem CID111946769
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCCCC1CCCC1)NCc1ccc(OC)nc1
InChIInChI=1S/C17H28N4O/c1-18-17(19-11-5-8-14-6-3-4-7-14)21-13-15-9-10-16(22-2)20-12-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H2,18,19,21)
InChIKeyFMKGHGPINSVFJI-UHFFFAOYSA-N
XLogP2.73
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.73
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'}

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Related Compounds

1-(cyclopropylmethyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111870451
1-(3-cyclopentylpropyl)-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111946529
1-(3-cyclopentylpropyl)-3-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111946373
1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111161885
1-(3-ethoxypropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111222146
1-(3-cyclopentylpropyl)-3-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111946372
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943028
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401027
1-butyl-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111150030
1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 110954680
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344354
1-[(4-methoxyphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111183561

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine (CID 111946769) is 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine is C/N=C(\NCCCC1CCCC1)NCc1ccc(OC)nc1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
The InChIKey is FMKGHGPINSVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-18-17(19-11-5-8-14-6-3-4-7-14)21-13-15-9-10-16(22-2)20-12-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine?
1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine has a molecular weight of 304.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111946769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).