1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine

C9H21N5O — CID 104881971

IUPAC1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(\NN)NCCCN1CCOCC1
InChIInChI=1S/C9H21N5O/c1-11-9(13-10)12-3-2-4-14-5-7-15-8-6-14/h2-8,10H2,1H3,(H2,11,12,13)
InChIKeyCHMDLQGUKQFPKX-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.25
Rot. Bonds4

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

1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 104881971) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine
PubChem CID104881971
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC Name1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(\NN)NCCCN1CCOCC1
InChIInChI=1S/C9H21N5O/c1-11-9(13-10)12-3-2-4-14-5-7-15-8-6-14/h2-8,10H2,1H3,(H2,11,12,13)
InChIKeyCHMDLQGUKQFPKX-UHFFFAOYSA-N
XLogP-1.25
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(3-morpholin-4-ylpropyl)guanidine
CID 14750558
2-N-(3-morpholin-4-ylpropyl)-4,5-dihydroimidazole-1,2-diamine
CID 19785377
2-Methyl-1-(3-morpholin-4-ylpropyl)guanidine
CID 62358807
2-(Aminomethyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 144106088
N'-methyl-N-(methylamino)morpholine-4-carboximidamide
CID 169236519
N-[amino-(2-methylhydrazinyl)methylidene]-N'-(methylideneamino)morpholine-4-carboximidamide
CID 174024845
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methylguanidine
CID 51131456
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
CID 52529679
1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
CID 52529681
1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
CID 52529683
1-Ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 62364386
1-(3-Morpholin-4-ylpropyl)-2-propylguanidine
CID 62364387

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine (CID 104881971) is 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine is C/N=C(\NN)NCCCN1CCOCC1.
What is the InChIKey of 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is CHMDLQGUKQFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-11-9(13-10)12-3-2-4-14-5-7-15-8-6-14/h2-8,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine?
1-amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 215.30 g/mol, XLogP of -1.25, 4 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-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 104881971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).