N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline

C24H24N2O — CID 118138065

IUPACN-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline
SMILESC=CCn1c2ccccc2c2ccc(OCCCNc3ccccc3)cc21
InChIInChI=1S/C24H24N2O/c1-2-16-26-23-12-7-6-11-21(23)22-14-13-20(18-24(22)26)27-17-8-15-25-19-9-4-3-5-10-19/h2-7,9-14,18,25H,1,8,15-17H2
InChIKeyJMTBHPVDKWWCDJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.86
Rot. Bonds8

About N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline

N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline (PubChem CID 118138065) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline.

Molecular Properties

Compound NameN-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline
PubChem CID118138065
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline
SMILESC=CCn1c2ccccc2c2ccc(OCCCNc3ccccc3)cc21
InChIInChI=1S/C24H24N2O/c1-2-16-26-23-12-7-6-11-21(23)22-14-13-20(18-24(22)26)27-17-8-15-25-19-9-4-3-5-10-19/h2-7,9-14,18,25H,1,8,15-17H2
InChIKeyJMTBHPVDKWWCDJ-UHFFFAOYSA-N
XLogP5.86
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline?
The IUPAC name of N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline (CID 118138065) is N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline.
What is the SMILES notation for N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline?
The canonical SMILES for N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline is C=CCn1c2ccccc2c2ccc(OCCCNc3ccccc3)cc21.
What is the InChIKey of N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline?
The InChIKey is JMTBHPVDKWWCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-16-26-23-12-7-6-11-21(23)22-14-13-20(18-24(22)26)27-17-8-15-25-19-9-4-3-5-10-19/h2-7,9-14,18,25H,1,8,15-17H2.
What are the key properties of N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline?
N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline has a molecular weight of 356.47 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline is sourced from PubChem (CID 118138065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).