1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine

C14H29NO — CID 116725873

IUPAC1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(C1CCC1)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-15-12(11-9-8-10-11)13(16-7-2)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyWAYHHRQFQVVGDE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine

1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 116725873) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID116725873
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(C1CCC1)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-15-12(11-9-8-10-11)13(16-7-2)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyWAYHHRQFQVVGDE-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethoxy-1-(3-ethylcyclohexyl)-3,3-dimethylbutyl]hydrazine
CID 105273762
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
CID 116717006
1-cyclopropyl-2,2-diethoxy-N-ethylethanamine
CID 79494929
2-ethoxy-N-ethyl-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623537
2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116725214
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 116723611
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298525
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
N-ethyl-2,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 104992228

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine (CID 116725873) is 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(C1CCC1)C(OCC)C(C)(C)C.
What is the InChIKey of 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is WAYHHRQFQVVGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-15-12(11-9-8-10-11)13(16-7-2)14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116725873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).