butane;4-butylmorpholine

C12H27NO — CID 177152600

IUPACbutane;4-butylmorpholine
SMILESCCCC.CCCCN1CCOCC1
InChIInChI=1S/C8H17NO.C4H10/c1-2-3-4-9-5-7-10-8-6-9;1-3-4-2/h2-8H2,1H3;3-4H2,1-2H3
InChIKeyHVONSKIALDEGCI-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.93
Rot. Bonds4

About butane;4-butylmorpholine

butane;4-butylmorpholine (PubChem CID 177152600) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is butane;4-butylmorpholine.

Molecular Properties

Compound Namebutane;4-butylmorpholine
PubChem CID177152600
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Namebutane;4-butylmorpholine
SMILESCCCC.CCCCN1CCOCC1
InChIInChI=1S/C8H17NO.C4H10/c1-2-3-4-9-5-7-10-8-6-9;1-3-4-2/h2-8H2,1H3;3-4H2,1-2H3
InChIKeyHVONSKIALDEGCI-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hexylmorpholine
CID 3614751
1-butylpyrrolidine;1,4-dioxane
CID 159502773
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
4-hexyl-1,4-oxazepane
CID 166849903
4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992
4-(4-methylnonyl)morpholine
CID 170444016
4-(2-hexoxyethyl)morpholine
CID 3326674
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-butylmorpholine;ethane;N-ethyl-N-methylformamide
CID 156802754
18-morpholin-4-yloctadecan-7-ol
CID 154324774

Frequently Asked Questions

What is the IUPAC name of butane;4-butylmorpholine?
The IUPAC name of butane;4-butylmorpholine (CID 177152600) is butane;4-butylmorpholine.
What is the SMILES notation for butane;4-butylmorpholine?
The canonical SMILES for butane;4-butylmorpholine is CCCC.CCCCN1CCOCC1.
What is the InChIKey of butane;4-butylmorpholine?
The InChIKey is HVONSKIALDEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C4H10/c1-2-3-4-9-5-7-10-8-6-9;1-3-4-2/h2-8H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;4-butylmorpholine?
butane;4-butylmorpholine has a molecular weight of 201.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-butylmorpholine is sourced from PubChem (CID 177152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).