N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine

C13H29NO — CID 83139596

IUPACN-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
SMILESCCNCC(CCOC(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-14-10-12(13(4,5)6)8-9-15-11(2)3/h11-12,14H,7-10H2,1-6H3
InChIKeyBTHNHXMCZYYGQA-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds7

About N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine

N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine (PubChem CID 83139596) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
PubChem CID83139596
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
SMILESCCNCC(CCOC(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-14-10-12(13(4,5)6)8-9-15-11(2)3/h11-12,14H,7-10H2,1-6H3
InChIKeyBTHNHXMCZYYGQA-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
CID 83138911
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
CID 114997752
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503
N-(propan-2-yloxymethyl)ethanamine
CID 58821109
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 62528154

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine (CID 83139596) is N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine is CCNCC(CCOC(C)C)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The InChIKey is BTHNHXMCZYYGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-14-10-12(13(4,5)6)8-9-15-11(2)3/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine is sourced from PubChem (CID 83139596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).