4-aminotetradec-1-en-5-one

C14H27NO — CID 116606806

IUPAC4-aminotetradec-1-en-5-one
SMILESC=CCC(N)C(=O)CCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h4,13H,2-3,5-12,15H2,1H3
InChIKeyQCFDLNMWMXUAGO-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.60
Rot. Bonds11

About 4-aminotetradec-1-en-5-one

4-aminotetradec-1-en-5-one (PubChem CID 116606806) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-aminotetradec-1-en-5-one.

Molecular Properties

Compound Name4-aminotetradec-1-en-5-one
PubChem CID116606806
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-aminotetradec-1-en-5-one
SMILESC=CCC(N)C(=O)CCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h4,13H,2-3,5-12,15H2,1H3
InChIKeyQCFDLNMWMXUAGO-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,2-diaminotetradecan-3-one
CID 94859791
2-amino-1-hydroxyoctadecan-3-one
CID 631
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
4-amino-1-ethylsulfonylhept-6-en-3-one
CID 106736857
19-aminooctatriacontane-18,21-dione
CID 163964320
4-amino-2-methyltetradecan-5-one
CID 116553430
trisodium;1,2-diaminooctadecan-3-one;triacetate
CID 173291245
(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812
(2S)-1,2-diaminoheptan-3-one
CID 157131527
3-methylhexadec-1-en-4-one
CID 15633952
4-aminododec-1-yn-5-one
CID 116606528
2,4-diamino-5-oxodecanoic acid
CID 138595877

Frequently Asked Questions

What is the IUPAC name of 4-aminotetradec-1-en-5-one?
The IUPAC name of 4-aminotetradec-1-en-5-one (CID 116606806) is 4-aminotetradec-1-en-5-one.
What is the SMILES notation for 4-aminotetradec-1-en-5-one?
The canonical SMILES for 4-aminotetradec-1-en-5-one is C=CCC(N)C(=O)CCCCCCCCC.
What is the InChIKey of 4-aminotetradec-1-en-5-one?
The InChIKey is QCFDLNMWMXUAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h4,13H,2-3,5-12,15H2,1H3.
What are the key properties of 4-aminotetradec-1-en-5-one?
4-aminotetradec-1-en-5-one has a molecular weight of 225.38 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminotetradec-1-en-5-one is sourced from PubChem (CID 116606806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).