2-butyl-2-(cyclobuten-1-yl)morpholine

C12H21NO — CID 174588639

IUPAC2-butyl-2-(cyclobuten-1-yl)morpholine
SMILESCCCCC1(C2=CCC2)CNCCO1
InChIInChI=1S/C12H21NO/c1-2-3-7-12(11-5-4-6-11)10-13-8-9-14-12/h5,13H,2-4,6-10H2,1H3
InChIKeyLMARLEAXKKGINW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds4

About 2-butyl-2-(cyclobuten-1-yl)morpholine

2-butyl-2-(cyclobuten-1-yl)morpholine (PubChem CID 174588639) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-butyl-2-(cyclobuten-1-yl)morpholine.

Molecular Properties

Compound Name2-butyl-2-(cyclobuten-1-yl)morpholine
PubChem CID174588639
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-butyl-2-(cyclobuten-1-yl)morpholine
SMILESCCCCC1(C2=CCC2)CNCCO1
InChIInChI=1S/C12H21NO/c1-2-3-7-12(11-5-4-6-11)10-13-8-9-14-12/h5,13H,2-4,6-10H2,1H3
InChIKeyLMARLEAXKKGINW-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-But-1-enyl-2-propylmorpholine
CID 68588047
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
2-But-1-enyl-2-butylmorpholine
CID 68588532
2-(Cyclohexen-1-yl)morpholine
CID 69728825
2-(Cyclohepten-1-yl)morpholine
CID 70431555
2-(Cycloocten-1-yl)morpholine
CID 70431666
(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428982
N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine
CID 144804938
(1R,5S)-7-tert-butyl-9-oxa-3-azabicyclo[3.3.1]non-6-ene
CID 156352648

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(cyclobuten-1-yl)morpholine?
The IUPAC name of 2-butyl-2-(cyclobuten-1-yl)morpholine (CID 174588639) is 2-butyl-2-(cyclobuten-1-yl)morpholine.
What is the SMILES notation for 2-butyl-2-(cyclobuten-1-yl)morpholine?
The canonical SMILES for 2-butyl-2-(cyclobuten-1-yl)morpholine is CCCCC1(C2=CCC2)CNCCO1.
What is the InChIKey of 2-butyl-2-(cyclobuten-1-yl)morpholine?
The InChIKey is LMARLEAXKKGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-7-12(11-5-4-6-11)10-13-8-9-14-12/h5,13H,2-4,6-10H2,1H3.
What are the key properties of 2-butyl-2-(cyclobuten-1-yl)morpholine?
2-butyl-2-(cyclobuten-1-yl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(cyclobuten-1-yl)morpholine is sourced from PubChem (CID 174588639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).