N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine

C16H23N — CID 113306247

IUPACN,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCNC1C2CC(C)c3ccccc3C2C1(C)C
InChIInChI=1S/C16H23N/c1-10-9-13-14(16(2,3)15(13)17-4)12-8-6-5-7-11(10)12/h5-8,10,13-15,17H,9H2,1-4H3
InChIKeyZSTWDENSQOUVTI-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.52
Rot. Bonds1

About N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine

N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (PubChem CID 113306247) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.

Molecular Properties

Compound NameN,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
PubChem CID113306247
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCNC1C2CC(C)c3ccccc3C2C1(C)C
InChIInChI=1S/C16H23N/c1-10-9-13-14(16(2,3)15(13)17-4)12-8-6-5-7-11(10)12/h5-8,10,13-15,17H,9H2,1-4H3
InChIKeyZSTWDENSQOUVTI-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
CID 81421466
N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 115421016
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
1,1,4-trimethyl-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-2-one
CID 115420993
1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine
CID 115421009
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
N,2,2-trimethyl-3,4-diphenylcyclobutan-1-amine
CID 81422447
2-(2-bromophenyl)sulfanyl-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420456
ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
CID 90721332
2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418831
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750

Frequently Asked Questions

What is the IUPAC name of N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The IUPAC name of N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (CID 113306247) is N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.
What is the SMILES notation for N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The canonical SMILES for N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is CNC1C2CC(C)c3ccccc3C2C1(C)C.
What is the InChIKey of N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The InChIKey is ZSTWDENSQOUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-10-9-13-14(16(2,3)15(13)17-4)12-8-6-5-7-11(10)12/h5-8,10,13-15,17H,9H2,1-4H3.
What are the key properties of N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,4-tetramethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is sourced from PubChem (CID 113306247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).