2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde

C19H21NO — CID 154987281

IUPAC2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde
SMILESCC(CCC1c2ccccc2-c2ccccc21)NCC=O
InChIInChI=1S/C19H21NO/c1-14(20-12-13-21)10-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,13-14,19-20H,10-12H2,1H3
InChIKeyBMKIJVGCALDYLZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde

2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde (PubChem CID 154987281) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde
PubChem CID154987281
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde
SMILESCC(CCC1c2ccccc2-c2ccccc21)NCC=O
InChIInChI=1S/C19H21NO/c1-14(20-12-13-21)10-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,13-14,19-20H,10-12H2,1H3
InChIKeyBMKIJVGCALDYLZ-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde?
The IUPAC name of 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde (CID 154987281) is 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde.
What is the SMILES notation for 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde?
The canonical SMILES for 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde is CC(CCC1c2ccccc2-c2ccccc21)NCC=O.
What is the InChIKey of 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde?
The InChIKey is BMKIJVGCALDYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14(20-12-13-21)10-11-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,13-14,19-20H,10-12H2,1H3.
What are the key properties of 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde?
2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde has a molecular weight of 279.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-yl)butan-2-ylamino]acetaldehyde is sourced from PubChem (CID 154987281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).