N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide

C20H29N3O — CID 84613081

IUPACN-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3cc(C(C)(C)C)ccc31)CC(C(=O)NCCN)CC2
InChIInChI=1S/C20H29N3O/c1-20(2,3)14-6-8-18-16(12-14)15-11-13(19(24)22-10-9-21)5-7-17(15)23(18)4/h6,8,12-13H,5,7,9-11,21H2,1-4H3,(H,22,24)
InChIKeyHYOMFYBCGWQQQP-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.66
Rot. Bonds3

About N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide

N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide (PubChem CID 84613081) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
PubChem CID84613081
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3cc(C(C)(C)C)ccc31)CC(C(=O)NCCN)CC2
InChIInChI=1S/C20H29N3O/c1-20(2,3)14-6-8-18-16(12-14)15-11-13(19(24)22-10-9-21)5-7-17(15)23(18)4/h6,8,12-13H,5,7,9-11,21H2,1-4H3,(H,22,24)
InChIKeyHYOMFYBCGWQQQP-UHFFFAOYSA-N
XLogP2.66
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide (CID 84613081) is N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide is Cn1c2c(c3cc(C(C)(C)C)ccc31)CC(C(=O)NCCN)CC2.
What is the InChIKey of N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The InChIKey is HYOMFYBCGWQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-20(2,3)14-6-8-18-16(12-14)15-11-13(19(24)22-10-9-21)5-7-17(15)23(18)4/h6,8,12-13H,5,7,9-11,21H2,1-4H3,(H,22,24).
What are the key properties of N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 84613081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).