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

C23H37N3O — CID 51003104

IUPACN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H37N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h6,9,12,19,22,24H,2-5,7-8,10-11,13-18H2,1H3
InChIKeyKNLPSXLZGRXFGB-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.61
Rot. Bonds6

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

N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 51003104) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID51003104
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H37N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h6,9,12,19,22,24H,2-5,7-8,10-11,13-18H2,1H3
InChIKeyKNLPSXLZGRXFGB-UHFFFAOYSA-N
XLogP3.61
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-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-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 51003104) is N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CCCC2NCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KNLPSXLZGRXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h6,9,12,19,22,24H,2-5,7-8,10-11,13-18H2,1H3.
What are the key properties of N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 371.57 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 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-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 51003104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).