2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine

C17H37NO — CID 112591502

IUPAC2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CCOC(C)(C)C)CNC(C)C
InChIInChI=1S/C17H37NO/c1-8-10-11-17(9-2,14-18-15(3)4)12-13-19-16(5,6)7/h15,18H,8-14H2,1-7H3
InChIKeyHDAXFWYGBQUBMW-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.78
Rot. Bonds10

About 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine

2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine (PubChem CID 112591502) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
PubChem CID112591502
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CCOC(C)(C)C)CNC(C)C
InChIInChI=1S/C17H37NO/c1-8-10-11-17(9-2,14-18-15(3)4)12-13-19-16(5,6)7/h15,18H,8-14H2,1-7H3
InChIKeyHDAXFWYGBQUBMW-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2,2-diethyl-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169784
2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine
CID 112591624
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483
2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591457
3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 89254911
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine (CID 112591502) is 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CCOC(C)(C)C)CNC(C)C.
What is the InChIKey of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine?
The InChIKey is HDAXFWYGBQUBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-8-10-11-17(9-2,14-18-15(3)4)12-13-19-16(5,6)7/h15,18H,8-14H2,1-7H3.
What are the key properties of 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine?
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine has a molecular weight of 271.49 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 112591502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).