ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde

C16H28FNO — CID 142816956

IUPACethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde
SMILESCC.CCCCCNCC.O=Cc1ccc(F)cc1
InChIInChI=1S/C7H5FO.C7H17N.C2H6/c8-7-3-1-6(5-9)2-4-7;1-3-5-6-7-8-4-2;1-2/h1-5H;8H,3-7H2,1-2H3;1-2H3
InChIKeyOPPUTIIHXAIQPI-UHFFFAOYSA-N
MW269.40 g/mol
LogP4.45
Rot. Bonds6

About ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde

ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde (PubChem CID 142816956) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde.

Molecular Properties

Compound Nameethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde
PubChem CID142816956
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Nameethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde
SMILESCC.CCCCCNCC.O=Cc1ccc(F)cc1
InChIInChI=1S/C7H5FO.C7H17N.C2H6/c8-7-3-1-6(5-9)2-4-7;1-3-5-6-7-8-4-2;1-2/h1-5H;8H,3-7H2,1-2H3;1-2H3
InChIKeyOPPUTIIHXAIQPI-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(nonadecylamino)benzaldehyde
CID 20556317
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
ethane;N-ethylhexan-1-amine
CID 143229911
N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
CID 171148379
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
ethane;4-pentylbenzaldehyde
CID 143882863
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
4-formyl-N-tricosylbenzamide
CID 166066746
4-formyl-N-octylbenzamide
CID 59691779
ethane-1,2-diol;4-fluorobenzaldehyde
CID 175223595

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde?
The IUPAC name of ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde (CID 142816956) is ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde.
What is the SMILES notation for ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde?
The canonical SMILES for ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde is CC.CCCCCNCC.O=Cc1ccc(F)cc1.
What is the InChIKey of ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde?
The InChIKey is OPPUTIIHXAIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO.C7H17N.C2H6/c8-7-3-1-6(5-9)2-4-7;1-3-5-6-7-8-4-2;1-2/h1-5H;8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde?
ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde has a molecular weight of 269.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde is sourced from PubChem (CID 142816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).