4-(2-aminoethyl)-9-ethyltridecan-7-one

C17H35NO — CID 116582753

IUPAC4-(2-aminoethyl)-9-ethyltridecan-7-one
SMILESCCCCC(CC)CC(=O)CCC(CCC)CCN
InChIInChI=1S/C17H35NO/c1-4-7-9-15(6-3)14-17(19)11-10-16(8-5-2)12-13-18/h15-16H,4-14,18H2,1-3H3
InChIKeyNNJSUFIUWQZPDJ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.71
Rot. Bonds13

About 4-(2-aminoethyl)-9-ethyltridecan-7-one

4-(2-aminoethyl)-9-ethyltridecan-7-one (PubChem CID 116582753) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-(2-aminoethyl)-9-ethyltridecan-7-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-9-ethyltridecan-7-one
PubChem CID116582753
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-(2-aminoethyl)-9-ethyltridecan-7-one
SMILESCCCCC(CC)CC(=O)CCC(CCC)CCN
InChIInChI=1S/C17H35NO/c1-4-7-9-15(6-3)14-17(19)11-10-16(8-5-2)12-13-18/h15-16H,4-14,18H2,1-3H3
InChIKeyNNJSUFIUWQZPDJ-UHFFFAOYSA-N
XLogP4.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797
1-amino-6-ethyl-3-methyldecan-4-one
CID 116594762
1-chloro-6-ethyldecan-4-one
CID 66044680
5-butyl-12-propylheptadecan-8-one
CID 91303627
7-ethyl-2-methylundec-1-en-5-one
CID 139807060
8-amino-6-ethyloctan-3-one
CID 116578085
6-ethyl-1,1,1-trifluorodecan-4-one
CID 79954755
5-ethylnonane;5-propylnonane
CID 157441807
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
11-amino-3-ethylundecan-5-one
CID 116551553
1-amino-7-ethyl-2-methylnonan-5-one
CID 116607621

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-9-ethyltridecan-7-one?
The IUPAC name of 4-(2-aminoethyl)-9-ethyltridecan-7-one (CID 116582753) is 4-(2-aminoethyl)-9-ethyltridecan-7-one.
What is the SMILES notation for 4-(2-aminoethyl)-9-ethyltridecan-7-one?
The canonical SMILES for 4-(2-aminoethyl)-9-ethyltridecan-7-one is CCCCC(CC)CC(=O)CCC(CCC)CCN.
What is the InChIKey of 4-(2-aminoethyl)-9-ethyltridecan-7-one?
The InChIKey is NNJSUFIUWQZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-7-9-15(6-3)14-17(19)11-10-16(8-5-2)12-13-18/h15-16H,4-14,18H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-9-ethyltridecan-7-one?
4-(2-aminoethyl)-9-ethyltridecan-7-one has a molecular weight of 269.47 g/mol, XLogP of 4.71, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-9-ethyltridecan-7-one is sourced from PubChem (CID 116582753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).