1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine

C14H22N4O — CID 110987740

IUPAC1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1cccnc1OCC)NC1CC1
InChIInChI=1S/C14H22N4O/c1-3-15-14(18-12-7-8-12)17-10-11-6-5-9-16-13(11)19-4-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,15,17,18)
InChIKeyQKPCQZNMTADVHM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.70
Rot. Bonds6

About 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine

1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine (PubChem CID 110987740) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
PubChem CID110987740
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1cccnc1OCC)NC1CC1
InChIInChI=1S/C14H22N4O/c1-3-15-14(18-12-7-8-12)17-10-11-6-5-9-16-13(11)19-4-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,15,17,18)
InChIKeyQKPCQZNMTADVHM-UHFFFAOYSA-N
XLogP1.70
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopropyl-3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110988171
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111189144
1-(1-benzylpiperidin-4-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110985417
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methylcyclohexyl)guanidine
CID 111256837
1-cyclopentyl-3-ethyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 110989697
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111189452
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111189451
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915036
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017615
1-ethyl-3-(1-propylpiperidin-4-yl)-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111016829
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939194
1-[3-(cyclopropylmethoxy)propyl]-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine
CID 111390609

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine (CID 110987740) is 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine is CCN/C(=N\Cc1cccnc1OCC)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine?
The InChIKey is QKPCQZNMTADVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-14(18-12-7-8-12)17-10-11-6-5-9-16-13(11)19-4-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine?
1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine has a molecular weight of 262.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-ethoxy-3-pyridinyl)methyl]-3-ethylguanidine is sourced from PubChem (CID 110987740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).