3-methyl-4-(3-methylbut-1-en-2-yl)morpholine

C10H19NO — CID 145027236

IUPAC3-methyl-4-(3-methylbut-1-en-2-yl)morpholine
SMILESC=C(C(C)C)N1CCOCC1C
InChIInChI=1S/C10H19NO/c1-8(2)10(4)11-5-6-12-7-9(11)3/h8-9H,4-7H2,1-3H3
InChIKeyVBWDBTREPWCTJM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.88
Rot. Bonds2

About 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine

3-methyl-4-(3-methylbut-1-en-2-yl)morpholine (PubChem CID 145027236) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine.

Molecular Properties

Compound Name3-methyl-4-(3-methylbut-1-en-2-yl)morpholine
PubChem CID145027236
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-4-(3-methylbut-1-en-2-yl)morpholine
SMILESC=C(C(C)C)N1CCOCC1C
InChIInChI=1S/C10H19NO/c1-8(2)10(4)11-5-6-12-7-9(11)3/h8-9H,4-7H2,1-3H3
InChIKeyVBWDBTREPWCTJM-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine?
The IUPAC name of 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine (CID 145027236) is 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine.
What is the SMILES notation for 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine?
The canonical SMILES for 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine is C=C(C(C)C)N1CCOCC1C.
What is the InChIKey of 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine?
The InChIKey is VBWDBTREPWCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(4)11-5-6-12-7-9(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine?
3-methyl-4-(3-methylbut-1-en-2-yl)morpholine has a molecular weight of 169.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbut-1-en-2-yl)morpholine is sourced from PubChem (CID 145027236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).