1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

C17H30N4O — CID 111192090

IUPAC1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCOCCC(C)C)NCCc1ccccn1
InChIInChI=1S/C17H30N4O/c1-4-18-17(21-12-14-22-13-9-15(2)3)20-11-8-16-7-5-6-10-19-16/h5-7,10,15H,4,8-9,11-14H2,1-3H3,(H2,18,20,21)
InChIKeyXSCFPKANHGTVNP-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.24
Rot. Bonds10

About 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111192090) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111192090
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCOCCC(C)C)NCCc1ccccn1
InChIInChI=1S/C17H30N4O/c1-4-18-17(21-12-14-22-13-9-15(2)3)20-11-8-16-7-5-6-10-19-16/h5-7,10,15H,4,8-9,11-14H2,1-3H3,(H2,18,20,21)
InChIKeyXSCFPKANHGTVNP-UHFFFAOYSA-N
XLogP2.24
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.24
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-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111964361
1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111512013
2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111970775
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971502
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193796
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 111970582
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1,3-diethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 110925969

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111192090) is 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCOCCC(C)C)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is XSCFPKANHGTVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-18-17(21-12-14-22-13-9-15(2)3)20-11-8-16-7-5-6-10-19-16/h5-7,10,15H,4,8-9,11-14H2,1-3H3,(H2,18,20,21).
What are the key properties of 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 306.45 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111192090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).