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

C11H25N5O2 — CID 104883090

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
SMILESCOCC(C)N/C(=N/CCN1CCOCC1)NN
InChIInChI=1S/C11H25N5O2/c1-10(9-17-2)14-11(15-12)13-3-4-16-5-7-18-8-6-16/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyDTPCJKLCRPPKJF-UHFFFAOYSA-N
MW259.35 g/mol
LogP-1.24
Rot. Bonds6

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

1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine (PubChem CID 104883090) has the molecular formula C11H25N5O2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
PubChem CID104883090
Molecular FormulaC11H25N5O2
Molecular Weight259.35 g/mol
Exact Mass259.20
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
SMILESCOCC(C)N/C(=N/CCN1CCOCC1)NN
InChIInChI=1S/C11H25N5O2/c1-10(9-17-2)14-11(15-12)13-3-4-16-5-7-18-8-6-16/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyDTPCJKLCRPPKJF-UHFFFAOYSA-N
XLogP-1.24
TPSA84.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 104884764
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111836738
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
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
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 71876056
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine (CID 104883090) is 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine is COCC(C)N/C(=N/CCN1CCOCC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is DTPCJKLCRPPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O2/c1-10(9-17-2)14-11(15-12)13-3-4-16-5-7-18-8-6-16/h10H,3-9,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 259.35 g/mol, XLogP of -1.24, 6 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-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 104883090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).