N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine

C15H29NO — CID 66359457

IUPACN-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCCNC1CC(OC(C)(C)CC)C12CCCC2
InChIInChI=1S/C15H29NO/c1-5-14(3,4)17-13-11-12(16-6-2)15(13)9-7-8-10-15/h12-13,16H,5-11H2,1-4H3
InChIKeyLWUMVIUOZLBYLX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine

N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine (PubChem CID 66359457) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
PubChem CID66359457
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCCNC1CC(OC(C)(C)CC)C12CCCC2
InChIInChI=1S/C15H29NO/c1-5-14(3,4)17-13-11-12(16-6-2)15(13)9-7-8-10-15/h12-13,16H,5-11H2,1-4H3
InChIKeyLWUMVIUOZLBYLX-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-2-methyl-3-(2-methylbutan-2-yloxy)cyclobutan-1-amine
CID 66359047
3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane
CID 66346170
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
CID 106451100
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172
N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
CID 66359603
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine (CID 66359457) is N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine is CCNC1CC(OC(C)(C)CC)C12CCCC2.
What is the InChIKey of N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine?
The InChIKey is LWUMVIUOZLBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-14(3,4)17-13-11-12(16-6-2)15(13)9-7-8-10-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine?
N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66359457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).