3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine

C17H33NO — CID 66356819

IUPAC3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCCCCC(CC)COC1CC(NC)C12CCCC2
InChIInChI=1S/C17H33NO/c1-4-6-9-14(5-2)13-19-16-12-15(18-3)17(16)10-7-8-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyMHVVKNBHQREJEO-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds8

About 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine

3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine (PubChem CID 66356819) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine
PubChem CID66356819
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCCCCC(CC)COC1CC(NC)C12CCCC2
InChIInChI=1S/C17H33NO/c1-4-6-9-14(5-2)13-19-16-12-15(18-3)17(16)10-7-8-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyMHVVKNBHQREJEO-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(2-ethylhexoxy)spiro[3.4]octane
CID 66344483
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexanoic acid
CID 122044815
3-(1-methoxypropan-2-yloxy)-N-methylspiro[3.4]octan-1-amine
CID 66350720
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine (CID 66356819) is 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine is CCCCC(CC)COC1CC(NC)C12CCCC2.
What is the InChIKey of 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine?
The InChIKey is MHVVKNBHQREJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-6-9-14(5-2)13-19-16-12-15(18-3)17(16)10-7-8-11-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine?
3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66356819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).