N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C24H39N3O — CID 51003106

IUPACN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2N(C)CCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H39N3O/c1-25(23-12-6-11-22-21(23)10-7-13-24(22)28-2)14-15-26-16-18-27(19-17-26)20-8-4-3-5-9-20/h7,10,13,20,23H,3-6,8-9,11-12,14-19H2,1-2H3
InChIKeySSAJSQOSJKNLHZ-UHFFFAOYSA-N
MW385.60 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 51003106) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID51003106
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC NameN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2N(C)CCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H39N3O/c1-25(23-12-6-11-22-21(23)10-7-13-24(22)28-2)14-15-26-16-18-27(19-17-26)20-8-4-3-5-9-20/h7,10,13,20,23H,3-6,8-9,11-12,14-19H2,1-2H3
InChIKeySSAJSQOSJKNLHZ-UHFFFAOYSA-N
XLogP3.95
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-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 N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 51003106) is N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CCCC2N(C)CCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SSAJSQOSJKNLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-25(23-12-6-11-22-21(23)10-7-13-24(22)28-2)14-15-26-16-18-27(19-17-26)20-8-4-3-5-9-20/h7,10,13,20,23H,3-6,8-9,11-12,14-19H2,1-2H3.
What are the key properties of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 385.60 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 51003106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).