1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine

C11H24N4O — CID 52529681

IUPAC1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H24N4O/c1-9-7-15(8-10(2)16-9)6-4-5-14-11(12)13-3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)/t9-,10-/m0/s1
InChIKeyYZNGQORGEQGOFK-UWVGGRQHSA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds4

About 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine

1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine (PubChem CID 52529681) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
PubChem CID52529681
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H24N4O/c1-9-7-15(8-10(2)16-9)6-4-5-14-11(12)13-3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)/t9-,10-/m0/s1
InChIKeyYZNGQORGEQGOFK-UWVGGRQHSA-N
XLogP0.02
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine?
The IUPAC name of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine (CID 52529681) is 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine?
The canonical SMILES for 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine is C/N=C(\N)NCCCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine?
The InChIKey is YZNGQORGEQGOFK-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9-7-15(8-10(2)16-9)6-4-5-14-11(12)13-3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)/t9-,10-/m0/s1.
What are the key properties of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine?
1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-methylguanidine is sourced from PubChem (CID 52529681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).