N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine

C25H26N2O — CID 11372147

IUPACN-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine
SMILESC=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C25H26N2O/c1-2-9-22-24(28-17-8-16-26-18-19-10-4-3-5-11-19)15-14-21-20-12-6-7-13-23(20)27-25(21)22/h2-7,10-15,26-27H,1,8-9,16-18H2
InChIKeyUPGXTVJBIFAVHT-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.61
Rot. Bonds9

About N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine

N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine (PubChem CID 11372147) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine
PubChem CID11372147
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine
SMILESC=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C25H26N2O/c1-2-9-22-24(28-17-8-16-26-18-19-10-4-3-5-11-19)15-14-21-20-12-6-7-13-23(20)27-25(21)22/h2-7,10-15,26-27H,1,8-9,16-18H2
InChIKeyUPGXTVJBIFAVHT-UHFFFAOYSA-N
XLogP5.61
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine (CID 11372147) is N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine is C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1ccccc12.
What is the InChIKey of N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine?
The InChIKey is UPGXTVJBIFAVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-9-22-24(28-17-8-16-26-18-19-10-4-3-5-11-19)15-14-21-20-12-6-7-13-23(20)27-25(21)22/h2-7,10-15,26-27H,1,8-9,16-18H2.
What are the key properties of N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine?
N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine has a molecular weight of 370.50 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1-prop-2-enyl-9H-carbazol-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 11372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).