4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine

C18H33NO — CID 135042933

IUPAC4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine
SMILESCC(C)CCC#CC(C)(CCC(C)C)N1CCOCC1
InChIInChI=1S/C18H33NO/c1-16(2)8-6-7-10-18(5,11-9-17(3)4)19-12-14-20-15-13-19/h16-17H,6,8-9,11-15H2,1-5H3
InChIKeyKZGYSOIUCJFLJS-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.95
Rot. Bonds6

About 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine

4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine (PubChem CID 135042933) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine.

Molecular Properties

Compound Name4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine
PubChem CID135042933
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine
SMILESCC(C)CCC#CC(C)(CCC(C)C)N1CCOCC1
InChIInChI=1S/C18H33NO/c1-16(2)8-6-7-10-18(5,11-9-17(3)4)19-12-14-20-15-13-19/h16-17H,6,8-9,11-15H2,1-5H3
InChIKeyKZGYSOIUCJFLJS-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102491214
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
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CID 135042994
4-(5-Methylhexyl)morpholine
CID 20742863
4-(2,4-Dimethylpentan-2-yl)morpholine
CID 67965122
4-(1,2,7-Trimethylcycloundecyl)morpholine
CID 91226071
4-butylmorpholine;N,N-diethyl-4-methylpentan-1-amine
CID 91248869
3,3-Dimethyl-4-(4-methylpentyl)morpholine
CID 118262824
4-[1-(1-Tert-butylpiperidin-4-yl)-2-methylpropan-2-yl]morpholine
CID 129035229
4-(2-Methylhexan-2-yl)morpholine
CID 130272411
3,3-Dimethyl-4-(4-methylheptyl)morpholine
CID 130409865
4-[1-(1-Tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine
CID 134453073

Frequently Asked Questions

What is the IUPAC name of 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine?
The IUPAC name of 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine (CID 135042933) is 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine.
What is the SMILES notation for 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine?
The canonical SMILES for 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine is CC(C)CCC#CC(C)(CCC(C)C)N1CCOCC1.
What is the InChIKey of 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine?
The InChIKey is KZGYSOIUCJFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(2)8-6-7-10-18(5,11-9-17(3)4)19-12-14-20-15-13-19/h16-17H,6,8-9,11-15H2,1-5H3.
What are the key properties of 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine?
4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine has a molecular weight of 279.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5,10-trimethylundec-6-yn-5-yl)morpholine is sourced from PubChem (CID 135042933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).