3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol

C12H16N2O — CID 135407396

IUPAC3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol
SMILESOCCC/N=C1\CCc2ccccc2N1
InChIInChI=1S/C12H16N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-5,15H,3,6-9H2,(H,13,14)
InChIKeyUYEBOGZNRNYEJV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.83
Rot. Bonds3

About 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol

3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol (PubChem CID 135407396) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol
PubChem CID135407396
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol
SMILESOCCC/N=C1\CCc2ccccc2N1
InChIInChI=1S/C12H16N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-5,15H,3,6-9H2,(H,13,14)
InChIKeyUYEBOGZNRNYEJV-UHFFFAOYSA-N
XLogP1.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol?
The IUPAC name of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol (CID 135407396) is 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol is OCCC/N=C1\CCc2ccccc2N1.
What is the InChIKey of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol?
The InChIKey is UYEBOGZNRNYEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-5,15H,3,6-9H2,(H,13,14).
What are the key properties of 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol?
3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol is sourced from PubChem (CID 135407396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).