6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine

C12H27NO — CID 81015252

IUPAC6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine
SMILESCCNCC(C)C(C)CCCOCC
InChIInChI=1S/C12H27NO/c1-5-13-10-12(4)11(3)8-7-9-14-6-2/h11-13H,5-10H2,1-4H3
InChIKeySWYZWSAUVOCFOJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds9

About 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine

6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine (PubChem CID 81015252) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine
PubChem CID81015252
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine
SMILESCCNCC(C)C(C)CCCOCC
InChIInChI=1S/C12H27NO/c1-5-13-10-12(4)11(3)8-7-9-14-6-2/h11-13H,5-10H2,1-4H3
InChIKeySWYZWSAUVOCFOJ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
CID 81015192
2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
CID 83138911
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
1-ethoxy-N,5-diethylheptan-4-amine
CID 105168474
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
2-(2-butoxyethyl)-N-ethyl-3-methylbutan-1-amine
CID 62530129
2-N,2-N-bis(2-ethoxyethyl)-1-N-ethylpentane-1,2-diamine
CID 83046420
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine?
The IUPAC name of 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine (CID 81015252) is 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine.
What is the SMILES notation for 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine?
The canonical SMILES for 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine is CCNCC(C)C(C)CCCOCC.
What is the InChIKey of 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine?
The InChIKey is SWYZWSAUVOCFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-13-10-12(4)11(3)8-7-9-14-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine?
6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine is sourced from PubChem (CID 81015252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).