1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine

C9H19N5O2 — CID 104882422

IUPAC1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine
SMILESC/N=C(\NN)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H19N5O2/c1-7(12-9(11-2)13-10)8(15)14-3-5-16-6-4-14/h7H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyXNTRCCVVTDXDEY-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.73
Rot. Bonds2

About 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine

1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine (PubChem CID 104882422) has the molecular formula C9H19N5O2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine
PubChem CID104882422
Molecular FormulaC9H19N5O2
Molecular Weight229.28 g/mol
Exact Mass229.15
IUPAC Name1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine
SMILESC/N=C(\NN)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H19N5O2/c1-7(12-9(11-2)13-10)8(15)14-3-5-16-6-4-14/h7H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyXNTRCCVVTDXDEY-UHFFFAOYSA-N
XLogP-1.73
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
2-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide;hydrochloride
CID 119308587
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 113408473
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
2-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 112684465
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)cyclohexane-1-carboxamide
CID 115738752

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine (CID 104882422) is 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine is C/N=C(\NN)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine?
The InChIKey is XNTRCCVVTDXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2/c1-7(12-9(11-2)13-10)8(15)14-3-5-16-6-4-14/h7H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine?
1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine has a molecular weight of 229.28 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)guanidine is sourced from PubChem (CID 104882422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).