N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine

C17H23N — CID 62715882

IUPACN-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
SMILESCCNC(CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-4-18-17(12-13(2)3)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeyQOGNPJGSUZGPCL-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.54
Rot. Bonds5

About N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine

N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine (PubChem CID 62715882) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
PubChem CID62715882
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
SMILESCCNC(CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-4-18-17(12-13(2)3)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeyQOGNPJGSUZGPCL-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
CID 64653562
N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
CID 104805323
2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
CID 167919622
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512
2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
N-ethyl-2-(furan-3-yl)-1-naphthalen-1-ylethanamine
CID 83176025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine (CID 62715882) is N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine is CCNC(CC(C)C)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine?
The InChIKey is QOGNPJGSUZGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-18-17(12-13(2)3)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-18H,4,12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine?
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine is sourced from PubChem (CID 62715882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).