N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C16H21N3O — CID 84612972

IUPACN-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(C(=O)NCCN)CC3
InChIInChI=1S/C16H21N3O/c1-10-2-4-14-12(8-10)13-9-11(3-5-15(13)19-14)16(20)18-7-6-17/h2,4,8,11,19H,3,5-7,9,17H2,1H3,(H,18,20)
InChIKeyIBEKFYXTGIPVQD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.66
Rot. Bonds3

About N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 84612972) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID84612972
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(C(=O)NCCN)CC3
InChIInChI=1S/C16H21N3O/c1-10-2-4-14-12(8-10)13-9-11(3-5-15(13)19-14)16(20)18-7-6-17/h2,4,8,11,19H,3,5-7,9,17H2,1H3,(H,18,20)
InChIKeyIBEKFYXTGIPVQD-UHFFFAOYSA-N
XLogP1.66
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 84612972) is N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is Cc1ccc2[nH]c3c(c2c1)CC(C(=O)NCCN)CC3.
What is the InChIKey of N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is IBEKFYXTGIPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-2-4-14-12(8-10)13-9-11(3-5-15(13)19-14)16(20)18-7-6-17/h2,4,8,11,19H,3,5-7,9,17H2,1H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 84612972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).