1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine

C9H21N5O — CID 104887927

IUPAC1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine
SMILESCC(C)C/N=C(\NN)NN1CCOCC1
InChIInChI=1S/C9H21N5O/c1-8(2)7-11-9(12-10)13-14-3-5-15-6-4-14/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyCBQPANOSOKUAKZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.70
Rot. Bonds3

About 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine

1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine (PubChem CID 104887927) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine
PubChem CID104887927
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC Name1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine
SMILESCC(C)C/N=C(\NN)NN1CCOCC1
InChIInChI=1S/C9H21N5O/c1-8(2)7-11-9(12-10)13-14-3-5-15-6-4-14/h8H,3-7,10H2,1-2H3,(H2,11,12,13)
InChIKeyCBQPANOSOKUAKZ-UHFFFAOYSA-N
XLogP-0.70
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.70
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

1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 104888487
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
N-amino-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883874
(2S)-2-amino-4-methyl-N-morpholin-4-ylpentanamide
CID 83016834
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
1-amino-2-(2-morpholin-4-ylpropyl)guanidine
CID 23126903
1-amino-2-(2-methylpropyl)-3-(4-pyrrolidin-1-ylphenyl)guanidine
CID 116514980
1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
CID 104882850
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
2-hydrazinyl-N-morpholin-4-yl-2-oxoacetamide
CID 91325671
1-amino-3-piperidin-1-yl-2-propan-2-ylguanidine
CID 104887948
1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 106026186

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine (CID 104887927) is 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine is CC(C)C/N=C(\NN)NN1CCOCC1.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine?
The InChIKey is CBQPANOSOKUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-8(2)7-11-9(12-10)13-14-3-5-15-6-4-14/h8H,3-7,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine?
1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine has a molecular weight of 215.30 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-morpholin-4-ylguanidine is sourced from PubChem (CID 104887927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).