7-(2-aminoethyl)-2-methyldecan-4-one

C13H27NO — CID 116582797

IUPAC7-(2-aminoethyl)-2-methyldecan-4-one
SMILESCCCC(CCN)CCC(=O)CC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-12(8-9-14)6-7-13(15)10-11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyAWDNCVMHZUWCCW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.15
Rot. Bonds9

About 7-(2-aminoethyl)-2-methyldecan-4-one

7-(2-aminoethyl)-2-methyldecan-4-one (PubChem CID 116582797) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 7-(2-aminoethyl)-2-methyldecan-4-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-2-methyldecan-4-one
PubChem CID116582797
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name7-(2-aminoethyl)-2-methyldecan-4-one
SMILESCCCC(CCN)CCC(=O)CC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-12(8-9-14)6-7-13(15)10-11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyAWDNCVMHZUWCCW-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
4-(2-aminoethyl)-9-ethyltridecan-7-one
CID 116582753
8-amino-6-ethyloctan-3-one
CID 116578085
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
5-(2-aminoethyl)-1-(3,4-dimethylphenyl)octan-2-one
CID 116582921
2-[4-(2-aminoethyl)heptanoylamino]-2-methylbutanoic acid
CID 79798912
4-(2-aminoethyl)-1-[3-(2-methylpropyl)phenyl]heptan-1-one
CID 116583003
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
10-amino-2-methyldecan-4-one
CID 116551412
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-2-methyldecan-4-one?
The IUPAC name of 7-(2-aminoethyl)-2-methyldecan-4-one (CID 116582797) is 7-(2-aminoethyl)-2-methyldecan-4-one.
What is the SMILES notation for 7-(2-aminoethyl)-2-methyldecan-4-one?
The canonical SMILES for 7-(2-aminoethyl)-2-methyldecan-4-one is CCCC(CCN)CCC(=O)CC(C)C.
What is the InChIKey of 7-(2-aminoethyl)-2-methyldecan-4-one?
The InChIKey is AWDNCVMHZUWCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-12(8-9-14)6-7-13(15)10-11(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 7-(2-aminoethyl)-2-methyldecan-4-one?
7-(2-aminoethyl)-2-methyldecan-4-one has a molecular weight of 213.36 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-2-methyldecan-4-one is sourced from PubChem (CID 116582797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).