1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one

C19H26N2O — CID 130283409

IUPAC1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)c1c(n2CC(C)C)CCCC1
InChIInChI=1S/C19H26N2O/c1-13(2)12-21-18-7-5-4-6-16(18)17-10-15(8-9-19(17)21)20-11-14(3)22/h8-10,13,20H,4-7,11-12H2,1-3H3
InChIKeyZGWNKSGEEHMGEO-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.18
Rot. Bonds5

About 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one

1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one (PubChem CID 130283409) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one
PubChem CID130283409
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)c1c(n2CC(C)C)CCCC1
InChIInChI=1S/C19H26N2O/c1-13(2)12-21-18-7-5-4-6-16(18)17-10-15(8-9-19(17)21)20-11-14(3)22/h8-10,13,20H,4-7,11-12H2,1-3H3
InChIKeyZGWNKSGEEHMGEO-UHFFFAOYSA-N
XLogP4.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
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 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one?
The IUPAC name of 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one (CID 130283409) is 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one?
The canonical SMILES for 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one is CC(=O)CNc1ccc2c(c1)c1c(n2CC(C)C)CCCC1.
What is the InChIKey of 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one?
The InChIKey is ZGWNKSGEEHMGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)12-21-18-7-5-4-6-16(18)17-10-15(8-9-19(17)21)20-11-14(3)22/h8-10,13,20H,4-7,11-12H2,1-3H3.
What are the key properties of 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one?
1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one has a molecular weight of 298.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[9-(2-methylpropyl)-5,6,7,8-tetrahydrocarbazol-3-yl]amino]propan-2-one is sourced from PubChem (CID 130283409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).