2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

C14H22IN5O — CID 120558132

IUPAC2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1(N2CCOCC2)CC1)Nc1ccccn1
InChIInChI=1S/C14H21N5O.HI/c15-13(18-12-3-1-2-6-16-12)17-11-14(4-5-14)19-7-9-20-10-8-19;/h1-3,6H,4-5,7-11H2,(H3,15,16,17,18);1H
InChIKeyCMZUJCYQLWAXAG-UHFFFAOYSA-N
MW403.27 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120558132) has the molecular formula C14H22IN5O and a molecular weight of 403.27 g/mol. Its IUPAC name is 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120558132
Molecular FormulaC14H22IN5O
Molecular Weight403.27 g/mol
Exact Mass403.09
IUPAC Name2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1(N2CCOCC2)CC1)Nc1ccccn1
InChIInChI=1S/C14H21N5O.HI/c15-13(18-12-3-1-2-6-16-12)17-11-14(4-5-14)19-7-9-20-10-8-19;/h1-3,6H,4-5,7-11H2,(H3,15,16,17,18);1H
InChIKeyCMZUJCYQLWAXAG-UHFFFAOYSA-N
XLogP1.29
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120558132) is 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\CC1(N2CCOCC2)CC1)Nc1ccccn1.
What is the InChIKey of 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is CMZUJCYQLWAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.HI/c15-13(18-12-3-1-2-6-16-12)17-11-14(4-5-14)19-7-9-20-10-8-19;/h1-3,6H,4-5,7-11H2,(H3,15,16,17,18);1H.
What are the key properties of 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 403.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120558132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).