N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine

C11H25NO — CID 62726160

IUPACN-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
SMILESCCCCC(C)(C)CNCCOC
InChIInChI=1S/C11H25NO/c1-5-6-7-11(2,3)10-12-8-9-13-4/h12H,5-10H2,1-4H3
InChIKeyWXLBGNAYQNLADC-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine

N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine (PubChem CID 62726160) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
PubChem CID62726160
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
SMILESCCCCC(C)(C)CNCCOC
InChIInChI=1S/C11H25NO/c1-5-6-7-11(2,3)10-12-8-9-13-4/h12H,5-10H2,1-4H3
InChIKeyWXLBGNAYQNLADC-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
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

4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine (CID 62726160) is N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine is CCCCC(C)(C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine?
The InChIKey is WXLBGNAYQNLADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-7-11(2,3)10-12-8-9-13-4/h12H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine?
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 62726160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).