8-(2-aminoethyl)-3-methylundecan-5-one

C14H29NO — CID 116582800

IUPAC8-(2-aminoethyl)-3-methylundecan-5-one
SMILESCCCC(CCN)CCC(=O)CC(C)CC
InChIInChI=1S/C14H29NO/c1-4-6-13(9-10-15)7-8-14(16)11-12(3)5-2/h12-13H,4-11,15H2,1-3H3
InChIKeyASYSUKUGKMVTFE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.54
Rot. Bonds10

About 8-(2-aminoethyl)-3-methylundecan-5-one

8-(2-aminoethyl)-3-methylundecan-5-one (PubChem CID 116582800) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 8-(2-aminoethyl)-3-methylundecan-5-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-3-methylundecan-5-one
PubChem CID116582800
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name8-(2-aminoethyl)-3-methylundecan-5-one
SMILESCCCC(CCN)CCC(=O)CC(C)CC
InChIInChI=1S/C14H29NO/c1-4-6-13(9-10-15)7-8-14(16)11-12(3)5-2/h12-13H,4-11,15H2,1-3H3
InChIKeyASYSUKUGKMVTFE-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797
4-(2-aminoethyl)-9-ethyltridecan-7-one
CID 116582753
1-amino-7-methylnonan-5-one
CID 116571906
8-amino-6-ethyloctan-3-one
CID 116578085
1-amino-7-ethyl-2-methylnonan-5-one
CID 116607621
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
9-amino-7-methylnonan-4-one
CID 116581538
6-amino-3-methylnonan-5-one
CID 116554552
4-(2-aminoethyl)-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674089
4-(2-aminoethyl)-1-(4-methylphenyl)heptan-1-one
CID 116582789
5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
CID 116582920
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-3-methylundecan-5-one?
The IUPAC name of 8-(2-aminoethyl)-3-methylundecan-5-one (CID 116582800) is 8-(2-aminoethyl)-3-methylundecan-5-one.
What is the SMILES notation for 8-(2-aminoethyl)-3-methylundecan-5-one?
The canonical SMILES for 8-(2-aminoethyl)-3-methylundecan-5-one is CCCC(CCN)CCC(=O)CC(C)CC.
What is the InChIKey of 8-(2-aminoethyl)-3-methylundecan-5-one?
The InChIKey is ASYSUKUGKMVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-13(9-10-15)7-8-14(16)11-12(3)5-2/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 8-(2-aminoethyl)-3-methylundecan-5-one?
8-(2-aminoethyl)-3-methylundecan-5-one has a molecular weight of 227.39 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-3-methylundecan-5-one is sourced from PubChem (CID 116582800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).