11-amino-3-ethylundecan-5-one

C13H27NO — CID 116551553

IUPAC11-amino-3-ethylundecan-5-one
SMILESCCC(CC)CC(=O)CCCCCCN
InChIInChI=1S/C13H27NO/c1-3-12(4-2)11-13(15)9-7-5-6-8-10-14/h12H,3-11,14H2,1-2H3
InChIKeyYDLDEWCIECJICG-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.29
Rot. Bonds10

About 11-amino-3-ethylundecan-5-one

11-amino-3-ethylundecan-5-one (PubChem CID 116551553) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 11-amino-3-ethylundecan-5-one.

Molecular Properties

Compound Name11-amino-3-ethylundecan-5-one
PubChem CID116551553
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name11-amino-3-ethylundecan-5-one
SMILESCCC(CC)CC(=O)CCCCCCN
InChIInChI=1S/C13H27NO/c1-3-12(4-2)11-13(15)9-7-5-6-8-10-14/h12H,3-11,14H2,1-2H3
InChIKeyYDLDEWCIECJICG-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.29
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

1-amino-7-methylnonan-5-one
CID 116571906
10-amino-2-methyldecan-4-one
CID 116551412
14-aminotetradecan-3-one
CID 178176766
8-aminooctan-4-one
CID 25202394
7-amino-1-hydroxyheptan-2-one
CID 58492627
1-amino-7-ethyl-2-methylnonan-5-one
CID 116607621
6-(aminomethyl)-1-ethylsulfonyloctan-4-one
CID 116596279
11-amino-3-methylundecan-4-one
CID 176580818
(4R)-4-(aminomethyl)-2-methyldodecan-6-one
CID 126693960
11-(4-aminobutyl)henicosane-2,9,12,19-tetrone
CID 163693640
2-ethylhexyl 6-aminohexanoate
CID 61302097
4-(2-aminoethyl)-9-ethyltridecan-7-one
CID 116582753

Frequently Asked Questions

What is the IUPAC name of 11-amino-3-ethylundecan-5-one?
The IUPAC name of 11-amino-3-ethylundecan-5-one (CID 116551553) is 11-amino-3-ethylundecan-5-one.
What is the SMILES notation for 11-amino-3-ethylundecan-5-one?
The canonical SMILES for 11-amino-3-ethylundecan-5-one is CCC(CC)CC(=O)CCCCCCN.
What is the InChIKey of 11-amino-3-ethylundecan-5-one?
The InChIKey is YDLDEWCIECJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-12(4-2)11-13(15)9-7-5-6-8-10-14/h12H,3-11,14H2,1-2H3.
What are the key properties of 11-amino-3-ethylundecan-5-one?
11-amino-3-ethylundecan-5-one has a molecular weight of 213.36 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-3-ethylundecan-5-one is sourced from PubChem (CID 116551553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).