N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine

C17H25NO — CID 66357591

IUPACN,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC2CCCc3ccccc32)C1(C)C
InChIInChI=1S/C17H25NO/c1-17(2)15(18-3)11-16(17)19-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14-16,18H,6,8,10-11H2,1-3H3
InChIKeyHBKQRAPNIJUQOB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds3

About N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine

N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine (PubChem CID 66357591) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
PubChem CID66357591
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC2CCCc3ccccc32)C1(C)C
InChIInChI=1S/C17H25NO/c1-17(2)15(18-3)11-16(17)19-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14-16,18H,6,8,10-11H2,1-3H3
InChIKeyHBKQRAPNIJUQOB-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
CID 66366089
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357997
2-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 104674500
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)spiro[3.4]octan-1-ol
CID 66366088
1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene
CID 66345937
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
CID 101156511
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65295086
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine (CID 66357591) is N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine is CNC1CC(OC2CCCc3ccccc32)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
The InChIKey is HBKQRAPNIJUQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)15(18-3)11-16(17)19-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14-16,18H,6,8,10-11H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66357591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).