2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C12H27NO — CID 112591457

IUPAC2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCC(CC)(CN)CCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-12(7-2,10-13)8-9-14-11(3,4)5/h6-10,13H2,1-5H3
InChIKeyNGMMPFOIOKTFKV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds6

About 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 112591457) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID112591457
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCC(CC)(CN)CCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-12(7-2,10-13)8-9-14-11(3,4)5/h6-10,13H2,1-5H3
InChIKeyNGMMPFOIOKTFKV-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 89254911
4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
3-(chloromethyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxy]heptane
CID 112592393
2,2-diethylbutane-1,4-diamine
CID 56990406
2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
2-(3,3-dimethylbutoxy)-2-ethylbutan-1-amine
CID 65051289
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 82138622

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 112591457) is 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CCC(CC)(CN)CCOC(C)(C)C.
What is the InChIKey of 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is NGMMPFOIOKTFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(7-2,10-13)8-9-14-11(3,4)5/h6-10,13H2,1-5H3.
What are the key properties of 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 112591457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).