4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine

C23H46N2O2 — CID 134350849

IUPAC4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine
SMILESCC(C)C(CC(C)(C)CC1CN(CCC(C)(C)C)CCO1)N1CCOCC1
InChIInChI=1S/C23H46N2O2/c1-19(2)21(25-11-13-26-14-12-25)17-23(6,7)16-20-18-24(10-15-27-20)9-8-22(3,4)5/h19-21H,8-18H2,1-7H3
InChIKeyMTIKIDWPBVXROQ-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.29
Rot. Bonds8

About 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine

4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine (PubChem CID 134350849) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine
PubChem CID134350849
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC Name4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine
SMILESCC(C)C(CC(C)(C)CC1CN(CCC(C)(C)C)CCO1)N1CCOCC1
InChIInChI=1S/C23H46N2O2/c1-19(2)21(25-11-13-26-14-12-25)17-23(6,7)16-20-18-24(10-15-27-20)9-8-22(3,4)5/h19-21H,8-18H2,1-7H3
InChIKeyMTIKIDWPBVXROQ-UHFFFAOYSA-N
XLogP4.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine with MolForge

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Related Compounds

4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
CID 139341902
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 158128158
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)ethanamine
CID 19989285
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111931790
3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine
CID 134516823
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine?
The IUPAC name of 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine (CID 134350849) is 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine is CC(C)C(CC(C)(C)CC1CN(CCC(C)(C)C)CCO1)N1CCOCC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine?
The InChIKey is MTIKIDWPBVXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-19(2)21(25-11-13-26-14-12-25)17-23(6,7)16-20-18-24(10-15-27-20)9-8-22(3,4)5/h19-21H,8-18H2,1-7H3.
What are the key properties of 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine?
4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine has a molecular weight of 382.63 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine is sourced from PubChem (CID 134350849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).