N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C19H26N2O — CID 154807938

IUPACN-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(NC1CCCc2c1[nH]c1ccccc21)C1CCCOC1
InChIInChI=1S/C19H26N2O/c1-13(14-6-5-11-22-12-14)20-18-10-4-8-16-15-7-2-3-9-17(15)21-19(16)18/h2-3,7,9,13-14,18,20-21H,4-6,8,10-12H2,1H3
InChIKeyUECPKQIAANFGFF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.95
Rot. Bonds3

About N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 154807938) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID154807938
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(NC1CCCc2c1[nH]c1ccccc21)C1CCCOC1
InChIInChI=1S/C19H26N2O/c1-13(14-6-5-11-22-12-14)20-18-10-4-8-16-15-7-2-3-9-17(15)21-19(16)18/h2-3,7,9,13-14,18,20-21H,4-6,8,10-12H2,1H3
InChIKeyUECPKQIAANFGFF-UHFFFAOYSA-N
XLogP3.95
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 154807938) is N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(NC1CCCc2c1[nH]c1ccccc21)C1CCCOC1.
What is the InChIKey of N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is UECPKQIAANFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(14-6-5-11-22-12-14)20-18-10-4-8-16-15-7-2-3-9-17(15)21-19(16)18/h2-3,7,9,13-14,18,20-21H,4-6,8,10-12H2,1H3.
What are the key properties of N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 298.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 154807938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).