1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine

C13H26N4O — CID 111963431

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CN(C)CCO1)NC1CC1C
InChIInChI=1S/C13H26N4O/c1-4-14-13(16-12-7-10(12)2)15-8-11-9-17(3)5-6-18-11/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyBAPLWKWIRQWAJP-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.28
Rot. Bonds4

About 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 111963431) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID111963431
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CN(C)CCO1)NC1CC1C
InChIInChI=1S/C13H26N4O/c1-4-14-13(16-12-7-10(12)2)15-8-11-9-17(3)5-6-18-11/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyBAPLWKWIRQWAJP-UHFFFAOYSA-N
XLogP0.28
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.28
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-butan-2-yl-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110944454
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316405
1-ethyl-3-(3-methylbutyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110978053
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 110998766
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409292
2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962905
1-ethyl-3-(2-methylcyclopropyl)-2-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 86770908
N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009779
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111181186
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111961887

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 111963431) is 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine is CCN/C(=N\CC1CN(C)CCO1)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is BAPLWKWIRQWAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-14-13(16-12-7-10(12)2)15-8-11-9-17(3)5-6-18-11/h10-12H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 254.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 111963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).