N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C20H22N2 — CID 159520401

IUPACN-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCN(Cc1ccccc1)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C20H22N2/c1-22(14-15-8-3-2-4-9-15)19-13-7-11-17-16-10-5-6-12-18(16)21-20(17)19/h2-6,8-10,12,19,21H,7,11,13-14H2,1H3
InChIKeyCLJZUQRCJBPHDJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.68
Rot. Bonds3

About N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 159520401) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID159520401
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCN(Cc1ccccc1)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C20H22N2/c1-22(14-15-8-3-2-4-9-15)19-13-7-11-17-16-10-5-6-12-18(16)21-20(17)19/h2-6,8-10,12,19,21H,7,11,13-14H2,1H3
InChIKeyCLJZUQRCJBPHDJ-UHFFFAOYSA-N
XLogP4.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 159520401) is N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CN(Cc1ccccc1)C1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is CLJZUQRCJBPHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22(14-15-8-3-2-4-9-15)19-13-7-11-17-16-10-5-6-12-18(16)21-20(17)19/h2-6,8-10,12,19,21H,7,11,13-14H2,1H3.
What are the key properties of N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 159520401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).