(3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine

C18H35NO2 — CID 170416845

IUPAC(3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine
SMILESCC(C)(CCOC[C@H]1COCCN1C(C)(C)C)C1CCC1
InChIInChI=1S/C18H35NO2/c1-17(2,3)19-10-12-21-14-16(19)13-20-11-9-18(4,5)15-7-6-8-15/h15-16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyHOATWONBAMQDKU-INIZCTEOSA-N
MW297.48 g/mol
LogP3.72
Rot. Bonds6

About (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine

(3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine (PubChem CID 170416845) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine.

Molecular Properties

Compound Name(3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine
PubChem CID170416845
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine
SMILESCC(C)(CCOC[C@H]1COCCN1C(C)(C)C)C1CCC1
InChIInChI=1S/C18H35NO2/c1-17(2,3)19-10-12-21-14-16(19)13-20-11-9-18(4,5)15-7-6-8-15/h15-16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyHOATWONBAMQDKU-INIZCTEOSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[(4-tert-butylmorpholin-3-yl)methoxy]-2-methylpropan-2-yl]-3,5-dimethylmorpholine
CID 130178669
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
(3R)-3-benzyl-4-tert-butylmorpholine
CID 138601634
(4-methoxy-2-methylbutan-2-yl)cyclopentane
CID 172526249
1-tert-butyl-2-(2-cyclohexyl-2-methylpropyl)aziridine
CID 170215911
3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid
CID 83819579
1-tert-butyl-2-(methoxymethyl)azetidine
CID 14509066
7-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 168880333
(5-chloro-2,5-dimethylhexan-2-yl)cyclobutane
CID 163687066
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405
4-(2-methylpentan-2-yl)oxane
CID 129015452

Frequently Asked Questions

What is the IUPAC name of (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine?
The IUPAC name of (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine (CID 170416845) is (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine.
What is the SMILES notation for (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine?
The canonical SMILES for (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine is CC(C)(CCOC[C@H]1COCCN1C(C)(C)C)C1CCC1.
What is the InChIKey of (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine?
The InChIKey is HOATWONBAMQDKU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H35NO2/c1-17(2,3)19-10-12-21-14-16(19)13-20-11-9-18(4,5)15-7-6-8-15/h15-16H,6-14H2,1-5H3/t16-/m0/s1.
What are the key properties of (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine?
(3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine has a molecular weight of 297.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-tert-butyl-3-[(3-cyclobutyl-3-methylbutoxy)methyl]morpholine is sourced from PubChem (CID 170416845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).