2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine

C18H29N — CID 64568274

IUPAC2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
SMILESCC(NCC(C)C(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29N/c1-13(2)14(3)12-19-15(4)17-10-9-16-7-5-6-8-18(16)11-17/h9-11,13-15,19H,5-8,12H2,1-4H3
InChIKeyJRWGNWLTYGNDBC-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.51
Rot. Bonds5

About 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine

2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine (PubChem CID 64568274) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
PubChem CID64568274
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
SMILESCC(NCC(C)C(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29N/c1-13(2)14(3)12-19-15(4)17-10-9-16-7-5-6-8-18(16)11-17/h9-11,13-15,19H,5-8,12H2,1-4H3
InChIKeyJRWGNWLTYGNDBC-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63682761

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine (CID 64568274) is 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine is CC(NCC(C)C(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine?
The InChIKey is JRWGNWLTYGNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)14(3)12-19-15(4)17-10-9-16-7-5-6-8-18(16)11-17/h9-11,13-15,19H,5-8,12H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine?
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 64568274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).