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

C14H28N4O — CID 119151741

IUPAC1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCCN1CCOC(C)(C)C1)NC1CC1C
InChIInChI=1S/C14H28N4O/c1-11-9-12(11)17-13(15-4)16-5-6-18-7-8-19-14(2,3)10-18/h11-12H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyFAFLAAIFUMFISL-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.67
Rot. Bonds4

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

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 119151741) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
PubChem CID119151741
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCCN1CCOC(C)(C)C1)NC1CC1C
InChIInChI=1S/C14H28N4O/c1-11-9-12(11)17-13(15-4)16-5-6-18-7-8-19-14(2,3)10-18/h11-12H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyFAFLAAIFUMFISL-UHFFFAOYSA-N
XLogP0.67
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine (CID 119151741) is 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine is C/N=C(\NCCN1CCOC(C)(C)C1)NC1CC1C.
What is the InChIKey of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is FAFLAAIFUMFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11-9-12(11)17-13(15-4)16-5-6-18-7-8-19-14(2,3)10-18/h11-12H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine?
1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 268.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 119151741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).