4-aminotetradec-1-en-3-one

C14H27NO — CID 123571687

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

About 4-aminotetradec-1-en-3-one

4-aminotetradec-1-en-3-one (PubChem CID 123571687) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-aminotetradec-1-en-3-one.

Molecular Properties

Compound Name4-aminotetradec-1-en-3-one
PubChem CID123571687
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-aminotetradec-1-en-3-one
SMILESC=CC(=O)C(N)CCCCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)4-2/h4,13H,2-3,5-12,15H2,1H3
InChIKeyAEVFACRMVSBVNX-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3,8-Triamino-10-methylundec-10-ene-2,9-dione
CID 18356655
4,9-Diamino-2-methylnon-1-en-3-one
CID 18356670
(4E)-2-aminocyclotridec-4-en-1-one
CID 23513353
4,9-Diaminonon-1-en-3-one
CID 54223174
4,6-Diaminodeca-1,9-diene-3,8-dione
CID 57037804
4,8-Diaminooct-1-en-3-one
CID 57049745
Aminocyclotridec-11-en-2-one
CID 57144930
4,9-Diaminododeca-1,11-diene-3,10-dione
CID 57174213
4,6-Diaminododeca-1,11-diene-3,10-dione
CID 57234388
7-Oxonon-8-enylazanium
CID 58177745
9-Aminonon-1-en-3-one
CID 58177746
10,14-Diamino-2-methyltetradec-1-ene-3,9-dione
CID 58342261

Frequently Asked Questions

What is the IUPAC name of 4-aminotetradec-1-en-3-one?
The IUPAC name of 4-aminotetradec-1-en-3-one (CID 123571687) is 4-aminotetradec-1-en-3-one.
What is the SMILES notation for 4-aminotetradec-1-en-3-one?
The canonical SMILES for 4-aminotetradec-1-en-3-one is C=CC(=O)C(N)CCCCCCCCCC.
What is the InChIKey of 4-aminotetradec-1-en-3-one?
The InChIKey is AEVFACRMVSBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)4-2/h4,13H,2-3,5-12,15H2,1H3.
What are the key properties of 4-aminotetradec-1-en-3-one?
4-aminotetradec-1-en-3-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-3-one is sourced from PubChem (CID 123571687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).