[(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

C13H26N2O+2 — CID 7282900

IUPAC[(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESC1=CC[C@@H](C[NH2+]CC[NH+]2CCOCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2/p+2/t13-/m1/s1
InChIKeyLTTZZFLHFAMTIU-CYBMUJFWSA-P
MW226.36 g/mol
LogP-1.18
Rot. Bonds5

About [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

[(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 7282900) has the molecular formula C13H26N2O+2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID7282900
Molecular FormulaC13H26N2O+2
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESC1=CC[C@@H](C[NH2+]CC[NH+]2CCOCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2/p+2/t13-/m1/s1
InChIKeyLTTZZFLHFAMTIU-CYBMUJFWSA-P
XLogP-1.18
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium (CID 7282900) is [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is C1=CC[C@@H](C[NH2+]CC[NH+]2CCOCC2)CC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is LTTZZFLHFAMTIU-CYBMUJFWSA-P. The full InChI is InChI=1S/C13H24N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-2,13-14H,3-12H2/p+2/t13-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
[(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 226.36 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 7282900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).