14-aminotetradecan-3-one

C14H29NO — CID 178176766

IUPAC14-aminotetradecan-3-one
SMILESCCC(=O)CCCCCCCCCCCN
InChIInChI=1S/C14H29NO/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h2-13,15H2,1H3
InChIKeyXZQYEMPMWXPLCX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.83
Rot. Bonds12

About 14-aminotetradecan-3-one

14-aminotetradecan-3-one (PubChem CID 178176766) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 14-aminotetradecan-3-one.

Molecular Properties

Compound Name14-aminotetradecan-3-one
PubChem CID178176766
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name14-aminotetradecan-3-one
SMILESCCC(=O)CCCCCCCCCCCN
InChIInChI=1S/C14H29NO/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h2-13,15H2,1H3
InChIKeyXZQYEMPMWXPLCX-UHFFFAOYSA-N
XLogP3.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;undecane-3,9-dione
CID 158816586
8-aminooctan-4-one
CID 25202394
1-hydroxydodecane-2,10-dione
CID 158814981
7-amino-1-hydroxyheptan-2-one
CID 58492627
tetracosane-3,13-dione
CID 143607999
9-oxoundecanoic acid
CID 5282986
decan-3-one;hydrochloride
CID 22446547
pentadecane-2,13-dione
CID 58143587
16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen
CID 156820708
11-amino-3-ethylundecan-5-one
CID 116551553
11-(4-aminobutyl)henicosane-2,9,12,19-tetrone
CID 163693640
heptadecane-3,7,11,15-tetrone
CID 160942813

Frequently Asked Questions

What is the IUPAC name of 14-aminotetradecan-3-one?
The IUPAC name of 14-aminotetradecan-3-one (CID 178176766) is 14-aminotetradecan-3-one.
What is the SMILES notation for 14-aminotetradecan-3-one?
The canonical SMILES for 14-aminotetradecan-3-one is CCC(=O)CCCCCCCCCCCN.
What is the InChIKey of 14-aminotetradecan-3-one?
The InChIKey is XZQYEMPMWXPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h2-13,15H2,1H3.
What are the key properties of 14-aminotetradecan-3-one?
14-aminotetradecan-3-one has a molecular weight of 227.39 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-aminotetradecan-3-one is sourced from PubChem (CID 178176766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).