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

C18H27N — CID 115421016

IUPACN,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCCNC1C2CC(C)c3ccccc3C2C1(C)CC
InChIInChI=1S/C18H27N/c1-5-18(4)16-14-10-8-7-9-13(14)12(3)11-15(16)17(18)19-6-2/h7-10,12,15-17,19H,5-6,11H2,1-4H3
InChIKeyFVEKFDUHYUKUFW-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.30
Rot. Bonds3

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

N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (PubChem CID 115421016) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.

Molecular Properties

Compound NameN,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
PubChem CID115421016
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
SMILESCCNC1C2CC(C)c3ccccc3C2C1(C)CC
InChIInChI=1S/C18H27N/c1-5-18(4)16-14-10-8-7-9-13(14)12(3)11-15(16)17(18)19-6-2/h7-10,12,15-17,19H,5-6,11H2,1-4H3
InChIKeyFVEKFDUHYUKUFW-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The IUPAC name of N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine (CID 115421016) is N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine.
What is the SMILES notation for N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The canonical SMILES for N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is CCNC1C2CC(C)c3ccccc3C2C1(C)CC.
What is the InChIKey of N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
The InChIKey is FVEKFDUHYUKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-5-18(4)16-14-10-8-7-9-13(14)12(3)11-15(16)17(18)19-6-2/h7-10,12,15-17,19H,5-6,11H2,1-4H3.
What are the key properties of N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine?
N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-1,4-dimethyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine is sourced from PubChem (CID 115421016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).