2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine

C22H48N2O — CID 176694052

IUPAC2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine
SMILESCC(C)CCCC1CN(C)CCO1.CCCCCC(N)CCC(C)C
InChIInChI=1S/C11H23NO.C11H25N/c1-10(2)5-4-6-11-9-12(3)7-8-13-11;1-4-5-6-7-11(12)9-8-10(2)3/h10-11H,4-9H2,1-3H3;10-11H,4-9,12H2,1-3H3
InChIKeyBRAHWTDOKGNLKG-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.47
Rot. Bonds11

About 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine

2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine (PubChem CID 176694052) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine
PubChem CID176694052
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine
SMILESCC(C)CCCC1CN(C)CCO1.CCCCCC(N)CCC(C)C
InChIInChI=1S/C11H23NO.C11H25N/c1-10(2)5-4-6-11-9-12(3)7-8-13-11;1-4-5-6-7-11(12)9-8-10(2)3/h10-11H,4-9H2,1-3H3;10-11H,4-9,12H2,1-3H3
InChIKeyBRAHWTDOKGNLKG-UHFFFAOYSA-N
XLogP5.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
(4-methylmorpholin-2-yl)methanol;nonane
CID 143690142
1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79093223
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
(2S)-2-butyl-4-decylmorpholine
CID 98152093
(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine
CID 67045755
2-[2-(3-ethylcyclobutyl)ethyl]-4-methylmorpholine
CID 170953530
1-(oxan-2-yl)nonan-3-amine
CID 115833397
2-methylnonane;heptahydrofluoride
CID 160801749
2-(5-methylhexyl)oxetane
CID 173452744

Frequently Asked Questions

What is the IUPAC name of 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine?
The IUPAC name of 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine (CID 176694052) is 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine.
What is the SMILES notation for 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine?
The canonical SMILES for 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine is CC(C)CCCC1CN(C)CCO1.CCCCCC(N)CCC(C)C.
What is the InChIKey of 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine?
The InChIKey is BRAHWTDOKGNLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C11H25N/c1-10(2)5-4-6-11-9-12(3)7-8-13-11;1-4-5-6-7-11(12)9-8-10(2)3/h10-11H,4-9H2,1-3H3;10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine?
2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine has a molecular weight of 356.64 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 176694052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).