2-hexoxy-N,2-dimethylbutan-1-amine

C12H27NO — CID 62354031

IUPAC2-hexoxy-N,2-dimethylbutan-1-amine
SMILESCCCCCCOC(C)(CC)CNC
InChIInChI=1S/C12H27NO/c1-5-7-8-9-10-14-12(3,6-2)11-13-4/h13H,5-11H2,1-4H3
InChIKeyQNKFEMFKFSMNIO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds9

About 2-hexoxy-N,2-dimethylbutan-1-amine

2-hexoxy-N,2-dimethylbutan-1-amine (PubChem CID 62354031) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-hexoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-hexoxy-N,2-dimethylbutan-1-amine
PubChem CID62354031
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-hexoxy-N,2-dimethylbutan-1-amine
SMILESCCCCCCOC(C)(CC)CNC
InChIInChI=1S/C12H27NO/c1-5-7-8-9-10-14-12(3,6-2)11-13-4/h13H,5-11H2,1-4H3
InChIKeyQNKFEMFKFSMNIO-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-hexoxy-2-methylbutan-1-amine
CID 62354032
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
CID 104566510
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112589696
2-decoxy-2-methylbutan-1-ol
CID 152517276
9-heptoxy-9-methylhenicosane
CID 91127088
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2-dodecoxy-2-methyltetradecane
CID 158074564
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709
1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane
CID 114773575

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-hexoxy-N,2-dimethylbutan-1-amine (CID 62354031) is 2-hexoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-hexoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-hexoxy-N,2-dimethylbutan-1-amine is CCCCCCOC(C)(CC)CNC.
What is the InChIKey of 2-hexoxy-N,2-dimethylbutan-1-amine?
The InChIKey is QNKFEMFKFSMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-8-9-10-14-12(3,6-2)11-13-4/h13H,5-11H2,1-4H3.
What are the key properties of 2-hexoxy-N,2-dimethylbutan-1-amine?
2-hexoxy-N,2-dimethylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62354031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).