1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine

C16H23N — CID 115421009

IUPAC1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine
SMILESCCC1C(NC)C2CC(C)c3ccccc3C12
InChIInChI=1S/C16H23N/c1-4-11-15-13-8-6-5-7-12(13)10(2)9-14(15)16(11)17-3/h5-8,10-11,14-17H,4,9H2,1-3H3
InChIKeyGOJDFKNHJZVIKX-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.52
Rot. Bonds2

About 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine

1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine (PubChem CID 115421009) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine.

Molecular Properties

Compound Name1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine
PubChem CID115421009
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine
SMILESCCC1C(NC)C2CC(C)c3ccccc3C12
InChIInChI=1S/C16H23N/c1-4-11-15-13-8-6-5-7-12(13)10(2)9-14(15)16(11)17-3/h5-8,10-11,14-17H,4,9H2,1-3H3
InChIKeyGOJDFKNHJZVIKX-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine?
The IUPAC name of 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine (CID 115421009) is 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine.
What is the SMILES notation for 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine?
The canonical SMILES for 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine is CCC1C(NC)C2CC(C)c3ccccc3C12.
What is the InChIKey of 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine?
The InChIKey is GOJDFKNHJZVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-11-15-13-8-6-5-7-12(13)10(2)9-14(15)16(11)17-3/h5-8,10-11,14-17H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine?
1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,4-dimethyl-1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-amine is sourced from PubChem (CID 115421009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).