1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

C18H27N — CID 115828599

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)C1C2CCCC21
InChIInChI=1S/C18H27N/c1-11-8-12(2)16(13(3)9-11)10-17(19-4)18-14-6-5-7-15(14)18/h8-9,14-15,17-19H,5-7,10H2,1-4H3
InChIKeyIAMGTVWZOOBJNK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.79
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine

1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115828599) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115828599
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)C1C2CCCC21
InChIInChI=1S/C18H27N/c1-11-8-12(2)16(13(3)9-11)10-17(19-4)18-14-6-5-7-15(14)18/h8-9,14-15,17-19H,5-7,10H2,1-4H3
InChIKeyIAMGTVWZOOBJNK-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828617
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014878
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
N-ethyl-1-(thian-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 80626497
[1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287770
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025251

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine (CID 115828599) is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is IAMGTVWZOOBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-11-8-12(2)16(13(3)9-11)10-17(19-4)18-14-6-5-7-15(14)18/h8-9,14-15,17-19H,5-7,10H2,1-4H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115828599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).