1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine

C12H27N5O2 — CID 104883471

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCOCC(C)N/C(=N/CCCN1CCOCC1)NN
InChIInChI=1S/C12H27N5O2/c1-11(10-18-2)15-12(16-13)14-4-3-5-17-6-8-19-9-7-17/h11H,3-10,13H2,1-2H3,(H2,14,15,16)
InChIKeyMSUYNVQDOWMDHE-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.85
Rot. Bonds7

About 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 104883471) has the molecular formula C12H27N5O2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID104883471
Molecular FormulaC12H27N5O2
Molecular Weight273.38 g/mol
Exact Mass273.22
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCOCC(C)N/C(=N/CCCN1CCOCC1)NN
InChIInChI=1S/C12H27N5O2/c1-11(10-18-2)15-12(16-13)14-4-3-5-17-6-8-19-9-7-17/h11H,3-10,13H2,1-2H3,(H2,14,15,16)
InChIKeyMSUYNVQDOWMDHE-UHFFFAOYSA-N
XLogP-0.85
TPSA84.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 104884764
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 71876056
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111836738
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111236935
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-octan-2-ylguanidine;hydroiodide
CID 111212512
1-ethyl-3-(1-methoxypropan-2-yl)-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111782949
1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
CID 104884067
1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 104885769
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine (CID 104883471) is 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine is COCC(C)N/C(=N/CCCN1CCOCC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is MSUYNVQDOWMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O2/c1-11(10-18-2)15-12(16-13)14-4-3-5-17-6-8-19-9-7-17/h11H,3-10,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 273.38 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 104883471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).