2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one

C19H24N2O2 — CID 135449715

IUPAC2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/CCCNC2CCCCC2)=C(O)c2ccccc21
InChIInChI=1S/C19H24N2O2/c22-18-15-9-4-5-10-16(15)19(23)17(18)13-20-11-6-12-21-14-7-2-1-3-8-14/h4-5,9-10,13-14,21-22H,1-3,6-8,11-12H2/b20-13+
InChIKeyQCDKXAUUVPONMQ-DEDYPNTBSA-N
MW312.41 g/mol
LogP3.54
Rot. Bonds6

About 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one

2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one (PubChem CID 135449715) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one
PubChem CID135449715
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/CCCNC2CCCCC2)=C(O)c2ccccc21
InChIInChI=1S/C19H24N2O2/c22-18-15-9-4-5-10-16(15)19(23)17(18)13-20-11-6-12-21-14-7-2-1-3-8-14/h4-5,9-10,13-14,21-22H,1-3,6-8,11-12H2/b20-13+
InChIKeyQCDKXAUUVPONMQ-DEDYPNTBSA-N
XLogP3.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one (CID 135449715) is 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one is O=C1C(/C=N/CCCNC2CCCCC2)=C(O)c2ccccc21.
What is the InChIKey of 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one?
The InChIKey is QCDKXAUUVPONMQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-15-9-4-5-10-16(15)19(23)17(18)13-20-11-6-12-21-14-7-2-1-3-8-14/h4-5,9-10,13-14,21-22H,1-3,6-8,11-12H2/b20-13+.
What are the key properties of 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one?
2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one has a molecular weight of 312.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylamino)propyliminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135449715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).