N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C21H30N2O3 — CID 142505547

IUPACN-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCOc1cc2[nH]c3c(c2c(OC)c1OC)CCCC3NC1CCCCC1
InChIInChI=1S/C21H30N2O3/c1-24-17-12-16-18(21(26-3)20(17)25-2)14-10-7-11-15(19(14)23-16)22-13-8-5-4-6-9-13/h12-13,15,22-23H,4-11H2,1-3H3
InChIKeyMZEZJHXSVREMMD-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.49
Rot. Bonds5

About N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 142505547) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID142505547
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCOc1cc2[nH]c3c(c2c(OC)c1OC)CCCC3NC1CCCCC1
InChIInChI=1S/C21H30N2O3/c1-24-17-12-16-18(21(26-3)20(17)25-2)14-10-7-11-15(19(14)23-16)22-13-8-5-4-6-9-13/h12-13,15,22-23H,4-11H2,1-3H3
InChIKeyMZEZJHXSVREMMD-UHFFFAOYSA-N
XLogP4.49
TPSA55.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-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-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 142505547) is N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine is COc1cc2[nH]c3c(c2c(OC)c1OC)CCCC3NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is MZEZJHXSVREMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-24-17-12-16-18(21(26-3)20(17)25-2)14-10-7-11-15(19(14)23-16)22-13-8-5-4-6-9-13/h12-13,15,22-23H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 358.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6,7-trimethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 142505547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).