7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27N — CID 113305756

IUPAC7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCc1ccc2c(c1)C(NCC)CCC2C
InChIInChI=1S/C17H27N/c1-4-6-7-14-9-10-15-13(3)8-11-17(18-5-2)16(15)12-14/h9-10,12-13,17-18H,4-8,11H2,1-3H3
InChIKeyOUJYCNMUNSCHTR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.58
Rot. Bonds5

About 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113305756) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113305756
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCc1ccc2c(c1)C(NCC)CCC2C
InChIInChI=1S/C17H27N/c1-4-6-7-14-9-10-15-13(3)8-11-17(18-5-2)16(15)12-14/h9-10,12-13,17-18H,4-8,11H2,1-3H3
InChIKeyOUJYCNMUNSCHTR-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113305756) is 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCc1ccc2c(c1)C(NCC)CCC2C.
What is the InChIKey of 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OUJYCNMUNSCHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-6-7-14-9-10-15-13(3)8-11-17(18-5-2)16(15)12-14/h9-10,12-13,17-18H,4-8,11H2,1-3H3.
What are the key properties of 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113305756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).