(2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine

C11H21NO — CID 143166559

IUPAC(2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine
SMILESC=C(C)CCCN1CCO[C@@H](C)C1
InChIInChI=1S/C11H21NO/c1-10(2)5-4-6-12-7-8-13-11(3)9-12/h11H,1,4-9H2,2-3H3/t11-/m0/s1
InChIKeyILDXZYAKHCRXSV-NSHDSACASA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds4

About (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine

(2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine (PubChem CID 143166559) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine
PubChem CID143166559
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine
SMILESC=C(C)CCCN1CCO[C@@H](C)C1
InChIInChI=1S/C11H21NO/c1-10(2)5-4-6-12-7-8-13-11(3)9-12/h11H,1,4-9H2,2-3H3/t11-/m0/s1
InChIKeyILDXZYAKHCRXSV-NSHDSACASA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine?
The IUPAC name of (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine (CID 143166559) is (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine.
What is the SMILES notation for (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine?
The canonical SMILES for (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine is C=C(C)CCCN1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine?
The InChIKey is ILDXZYAKHCRXSV-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)5-4-6-12-7-8-13-11(3)9-12/h11H,1,4-9H2,2-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine?
(2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(4-methylpent-4-enyl)morpholine is sourced from PubChem (CID 143166559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).