4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine

C14H32N2OS — CID 153374624

IUPAC4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine
SMILESCC(C)C(C)(C)CC(C)(C)N1CCOCC1.NS
InChIInChI=1S/C14H29NO.H3NS/c1-12(2)13(3,4)11-14(5,6)15-7-9-16-10-8-15;1-2/h12H,7-11H2,1-6H3;2H,1H2
InChIKeyBNWMQSAHSZBPPO-UHFFFAOYSA-N
MW276.49 g/mol
LogP2.96
Rot. Bonds4

About 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine

4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine (PubChem CID 153374624) has the molecular formula C14H32N2OS and a molecular weight of 276.49 g/mol. Its IUPAC name is 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine.

Molecular Properties

Compound Name4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine
PubChem CID153374624
Molecular FormulaC14H32N2OS
Molecular Weight276.49 g/mol
Exact Mass276.22
IUPAC Name4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine
SMILESCC(C)C(C)(C)CC(C)(C)N1CCOCC1.NS
InChIInChI=1S/C14H29NO.H3NS/c1-12(2)13(3,4)11-14(5,6)15-7-9-16-10-8-15;1-2/h12H,7-11H2,1-6H3;2H,1H2
InChIKeyBNWMQSAHSZBPPO-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
4-(2,4,4,5,5-pentamethylheptan-2-yl)morpholine
CID 91584276
(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate
CID 143503686
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2-morpholin-4-ylpropane-2-thiol
CID 139318537
4-(3,5,5-trimethylhexan-3-yl)morpholine
CID 123863287
2,4-dimethyl-2-morpholin-4-ylpentan-3-amine
CID 79051306
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)hexan-2-amine
CID 43202156
2-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 43363203
ethyl 2-amino-4-methyl-4-morpholin-4-ylpentanoate
CID 170885030
4-(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl)oxy-4-oxobut-2-enoic acid
CID 123774854

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine?
The IUPAC name of 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine (CID 153374624) is 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine.
What is the SMILES notation for 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine?
The canonical SMILES for 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine is CC(C)C(C)(C)CC(C)(C)N1CCOCC1.NS.
What is the InChIKey of 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine?
The InChIKey is BNWMQSAHSZBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.H3NS/c1-12(2)13(3,4)11-14(5,6)15-7-9-16-10-8-15;1-2/h12H,7-11H2,1-6H3;2H,1H2.
What are the key properties of 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine?
4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine has a molecular weight of 276.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4,5-tetramethylhexan-2-yl)morpholine;thiohydroxylamine is sourced from PubChem (CID 153374624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).