2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine

C10H22N4O — CID 78931979

IUPAC2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CN(C)CCO1
InChIInChI=1S/C10H22N4O/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyCSAQVOKLOQLVPY-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine

2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine (PubChem CID 78931979) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine
PubChem CID78931979
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CN(C)CCO1
InChIInChI=1S/C10H22N4O/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyCSAQVOKLOQLVPY-UHFFFAOYSA-N
XLogP-0.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[Amino(morpholin-4-yl)methylidene]-3-propylthiourea
CID 2728808
4-(4,5-dihydro-1H-imidazol-2-yl)-2,6-dimethylmorpholine
CID 2798365
N-(5-(3-morpholinopropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)cyanamide
CID 3165068
2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 91644058
2-methyl-1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848257
2-methyl-1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848258
1-Ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471790
1-Ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471791
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471966
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471967
2-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472558
2-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine (CID 78931979) is 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1CN(C)CCO1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine?
The InChIKey is CSAQVOKLOQLVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9/h9H,3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine?
2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine has a molecular weight of 214.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 78931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).