N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C12H27NO — CID 112591463

IUPACN-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCNCC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-13-10-12(5,6)8-9-14-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyYASZLGCYNTXOSP-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 112591463) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID112591463
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCNCC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-13-10-12(5,6)8-9-14-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyYASZLGCYNTXOSP-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 24984722
CID 24984722
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
N-ethyl-2,2-dimethylhexane-1,6-diamine
CID 142012033
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
N-tert-butyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;2-methylpentan-3-one
CID 143058117
3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine
CID 177178732
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 112591463) is N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CCNCC(C)(C)CCOC(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is YASZLGCYNTXOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-13-10-12(5,6)8-9-14-11(2,3)4/h13H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 112591463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).