1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

C13H23IN4O — CID 111834610

IUPAC1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCOc1cccnc1)NC(C)C.I
InChIInChI=1S/C13H22N4O.HI/c1-4-15-13(17-11(2)3)16-8-9-18-12-6-5-7-14-10-12;/h5-7,10-11H,4,8-9H2,1-3H3,(H2,15,16,17);1H
InChIKeyTZRRCXMNECKRTP-UHFFFAOYSA-N
MW378.26 g/mol
LogP2.04
Rot. Bonds6

About 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (PubChem CID 111834610) has the molecular formula C13H23IN4O and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
PubChem CID111834610
Molecular FormulaC13H23IN4O
Molecular Weight378.26 g/mol
Exact Mass378.09
IUPAC Name1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCOc1cccnc1)NC(C)C.I
InChIInChI=1S/C13H22N4O.HI/c1-4-15-13(17-11(2)3)16-8-9-18-12-6-5-7-14-10-12;/h5-7,10-11H,4,8-9H2,1-3H3,(H2,15,16,17);1H
InChIKeyTZRRCXMNECKRTP-UHFFFAOYSA-N
XLogP2.04
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 52.04
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111834611
1-butan-2-yl-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111545502
2-[2-(4-bromophenoxy)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111126105
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111791996
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838187
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111836192
1-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127351
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine
CID 111791997
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840133
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111835729
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (CID 111834610) is 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is CCN/C(=N\CCOc1cccnc1)NC(C)C.I.
What is the InChIKey of 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The InChIKey is TZRRCXMNECKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.HI/c1-4-15-13(17-11(2)3)16-8-9-18-12-6-5-7-14-10-12;/h5-7,10-11H,4,8-9H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide has a molecular weight of 378.26 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111834610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).