4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine

C17H34N2O2 — CID 135070777

IUPAC4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine
SMILESCC(CN1CCOCC1)C(C)(C)CCCN1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-16(15-19-9-13-21-14-10-19)17(2,3)5-4-6-18-7-11-20-12-8-18/h16H,4-15H2,1-3H3
InChIKeyFGPPOTRMNKYQCZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.09
Rot. Bonds7

About 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine

4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine (PubChem CID 135070777) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine.

Molecular Properties

Compound Name4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine
PubChem CID135070777
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine
SMILESCC(CN1CCOCC1)C(C)(C)CCCN1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-16(15-19-9-13-21-14-10-19)17(2,3)5-4-6-18-7-11-20-12-8-18/h16H,4-15H2,1-3H3
InChIKeyFGPPOTRMNKYQCZ-UHFFFAOYSA-N
XLogP2.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(9-Tert-butyl-3-azaspiro[5.5]undecan-3-yl)propyl]morpholine;hydrochloride
CID 54606301
1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine
CID 44592886
4-(2-Methyl-7-morpholin-4-ylheptyl)morpholine
CID 15370618
4-[3-(3-Tert-butyl-9-azaspiro[5.5]undecan-9-yl)propyl]morpholine
CID 417420
4-(4,4-Dimethyl-7-morpholin-4-ylheptyl)morpholine
CID 11098562
4-(3,4-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370627
4-Methyl-1-[2-[3-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]butoxy]ethyl]-4-propan-2-ylpiperidine
CID 146244494
4-(2,5-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370617
4-(2,7-Dimethyl-8-morpholin-4-yloctyl)morpholine
CID 15370619
4-(2-Methyl-9-morpholin-4-ylnonyl)morpholine
CID 15370620
4-(2,9-Dimethyl-10-morpholin-4-yldecyl)morpholine
CID 15370621
4-(2-Methyl-11-morpholin-4-ylundecyl)morpholine
CID 15370622

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine?
The IUPAC name of 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine (CID 135070777) is 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine.
What is the SMILES notation for 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine?
The canonical SMILES for 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine is CC(CN1CCOCC1)C(C)(C)CCCN1CCOCC1.
What is the InChIKey of 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine?
The InChIKey is FGPPOTRMNKYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(15-19-9-13-21-14-10-19)17(2,3)5-4-6-18-7-11-20-12-8-18/h16H,4-15H2,1-3H3.
What are the key properties of 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine?
4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine has a molecular weight of 298.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trimethyl-6-morpholin-4-ylhexyl)morpholine is sourced from PubChem (CID 135070777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).