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

C14H24N4O — CID 111061095

IUPAC1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(OC(C)C)nc1
InChIInChI=1S/C14H24N4O/c1-4-5-8-16-14(15)18-10-12-6-7-13(17-9-12)19-11(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,15,16,18)
InChIKeyDMMDHDMXKAHVOZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds7

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

1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (PubChem CID 111061095) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
PubChem CID111061095
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(OC(C)C)nc1
InChIInChI=1S/C14H24N4O/c1-4-5-8-16-14(15)18-10-12-6-7-13(17-9-12)19-11(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,15,16,18)
InChIKeyDMMDHDMXKAHVOZ-UHFFFAOYSA-N
XLogP2.07
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
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-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 111086403
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-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
1-butyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111053813
2-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111061142
1-butyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 111041567
1-cyclopropyl-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 110988306
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
N-[4-[[[amino(butylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040426
1-(1-methoxypropan-2-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111804468

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (CID 111061095) is 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is CCCCN/C(N)=N/Cc1ccc(OC(C)C)nc1.
What is the InChIKey of 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The InChIKey is DMMDHDMXKAHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-8-16-14(15)18-10-12-6-7-13(17-9-12)19-11(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,15,16,18).
What are the key properties of 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111061095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).