2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine

C18H29N — CID 164933909

IUPAC2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc2c(c1)CCC(C(C)(C)C)C2
InChIInChI=1S/C18H29N/c1-18(2,3)17-9-8-15-12-14(10-11-19(4)5)6-7-16(15)13-17/h6-7,12,17H,8-11,13H2,1-5H3
InChIKeyXPHWLUWMCLHTHC-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.94
Rot. Bonds3

About 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine

2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine (PubChem CID 164933909) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine
PubChem CID164933909
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc2c(c1)CCC(C(C)(C)C)C2
InChIInChI=1S/C18H29N/c1-18(2,3)17-9-8-15-12-14(10-11-19(4)5)6-7-16(15)13-17/h6-7,12,17H,8-11,13H2,1-5H3
InChIKeyXPHWLUWMCLHTHC-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
3-(6-heptyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-methoxysulfanyl-N-methylpropan-1-amine
CID 135218771
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
[(2S)-2-amino-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propyl] dihydrogen phosphate
CID 25192006
2-amino-2-(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-1-ol
CID 25018299
N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide
CID 98052612
(2S)-2-amino-2-[(7S)-3-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]propan-1-ol
CID 71098235
6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626739
6-[4-(dimethylamino)butyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998596

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine (CID 164933909) is 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine is CN(C)CCc1ccc2c(c1)CCC(C(C)(C)C)C2.
What is the InChIKey of 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine?
The InChIKey is XPHWLUWMCLHTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)17-9-8-15-12-14(10-11-19(4)5)6-7-16(15)13-17/h6-7,12,17H,8-11,13H2,1-5H3.
What are the key properties of 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine?
2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine has a molecular weight of 259.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 164933909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).