4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane

C29H64N4O2 — CID 142134619

IUPAC4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane
SMILESCC.CC(C)CC(C)CN1CCOCC1.CCCCN1CCNCC1.CCCCN1CCOCC1
InChIInChI=1S/C11H23NO.C8H18N2.C8H17NO.C2H6/c1-10(2)8-11(3)9-12-4-6-13-7-5-12;1-2-3-6-10-7-4-9-5-8-10;1-2-3-4-9-5-7-10-8-6-9;1-2/h10-11H,4-9H2,1-3H3;9H,2-8H2,1H3;2-8H2,1H3;1-2H3
InChIKeyUHJSNINOXLVZAI-UHFFFAOYSA-N
MW500.86 g/mol
LogP4.84
Rot. Bonds10

About 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane

4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane (PubChem CID 142134619) has the molecular formula C29H64N4O2 and a molecular weight of 500.86 g/mol. Its IUPAC name is 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane.

Molecular Properties

Compound Name4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane
PubChem CID142134619
Molecular FormulaC29H64N4O2
Molecular Weight500.86 g/mol
Exact Mass500.50
IUPAC Name4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane
SMILESCC.CC(C)CC(C)CN1CCOCC1.CCCCN1CCNCC1.CCCCN1CCOCC1
InChIInChI=1S/C11H23NO.C8H18N2.C8H17NO.C2H6/c1-10(2)8-11(3)9-12-4-6-13-7-5-12;1-2-3-6-10-7-4-9-5-8-10;1-2-3-4-9-5-7-10-8-6-9;1-2/h10-11H,4-9H2,1-3H3;9H,2-8H2,1H3;2-8H2,1H3;1-2H3
InChIKeyUHJSNINOXLVZAI-UHFFFAOYSA-N
XLogP4.84
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane with MolForge

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Related Compounds

4-[1-(3,9-Diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
CID 56894471
4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
CID 171359040
N,N'-bis(2-morpholin-4-ylethyl)-N'-[3-(2-morpholin-4-ylethylamino)propyl]propane-1,3-diamine
CID 59841341
2-Methylpiperidine;4-(2-piperazin-1-ylethyl)morpholine
CID 68616628
N-[2-[1,1-bis[2-(2-piperazin-1-ylethylamino)ethoxy]ethoxy]ethyl]-2-piperidin-1-ylethanamine
CID 89804220
1-[2-[1-(2-Piperazin-1-ylethoxy)-1-(2-piperidin-1-ylethoxy)ethoxy]ethyl]piperazine
CID 89804221
1-(2-Ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine
CID 120374456
1-[[1-(2-Methoxyethyl)piperidin-3-yl]methyl]-3-[(1-methylpiperidin-3-yl)methoxymethyl]piperazine
CID 123474572
1,5-Dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine
CID 130303687
4-[2-(4-Methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine
CID 130368449
4-[[4-[[(5R)-5-methylpiperidin-2-yl]methyl]piperazin-1-yl]methyl]morpholine
CID 130429207
4-(2,5-Dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine
CID 134214478

Frequently Asked Questions

What is the IUPAC name of 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane?
The IUPAC name of 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane (CID 142134619) is 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane.
What is the SMILES notation for 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane?
The canonical SMILES for 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane is CC.CC(C)CC(C)CN1CCOCC1.CCCCN1CCNCC1.CCCCN1CCOCC1.
What is the InChIKey of 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane?
The InChIKey is UHJSNINOXLVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C8H18N2.C8H17NO.C2H6/c1-10(2)8-11(3)9-12-4-6-13-7-5-12;1-2-3-6-10-7-4-9-5-8-10;1-2-3-4-9-5-7-10-8-6-9;1-2/h10-11H,4-9H2,1-3H3;9H,2-8H2,1H3;2-8H2,1H3;1-2H3.
What are the key properties of 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane?
4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane has a molecular weight of 500.86 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylmorpholine;1-butylpiperazine;4-(2,4-dimethylpentyl)morpholine;ethane is sourced from PubChem (CID 142134619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).