1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine

C15H24N4O — CID 111086403

IUPAC1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(OCC2CC2)nc1
InChIInChI=1S/C15H24N4O/c1-2-3-8-17-15(16)19-10-13-6-7-14(18-9-13)20-11-12-4-5-12/h6-7,9,12H,2-5,8,10-11H2,1H3,(H3,16,17,19)
InChIKeyDPWVOXLLSOITPW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds8

About 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine

1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine (PubChem CID 111086403) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
PubChem CID111086403
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(OCC2CC2)nc1
InChIInChI=1S/C15H24N4O/c1-2-3-8-17-15(16)19-10-13-6-7-14(18-9-13)20-11-12-4-5-12/h6-7,9,12H,2-5,8,10-11H2,1H3,(H3,16,17,19)
InChIKeyDPWVOXLLSOITPW-UHFFFAOYSA-N
XLogP2.07
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
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

2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111086466
1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111061095
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111051192
1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061031
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine
CID 110917760
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110917759
1-butyl-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111150030
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868456
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111158268
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine (CID 111086403) is 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine is CCCCN/C(N)=N/Cc1ccc(OCC2CC2)nc1.
What is the InChIKey of 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
The InChIKey is DPWVOXLLSOITPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-8-17-15(16)19-10-13-6-7-14(18-9-13)20-11-12-4-5-12/h6-7,9,12H,2-5,8,10-11H2,1H3,(H3,16,17,19).
What are the key properties of 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine?
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine has a molecular weight of 276.38 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111086403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).