N-(2-aminoethyl)-3-methyl-4-oxohexanamide

C9H18N2O2 — CID 145348693

IUPACN-(2-aminoethyl)-3-methyl-4-oxohexanamide
SMILESCCC(=O)C(C)CC(=O)NCCN
InChIInChI=1S/C9H18N2O2/c1-3-8(12)7(2)6-9(13)11-5-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyCJSWNDDIQQKIHC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.07
Rot. Bonds6

About N-(2-aminoethyl)-3-methyl-4-oxohexanamide

N-(2-aminoethyl)-3-methyl-4-oxohexanamide (PubChem CID 145348693) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-4-oxohexanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-4-oxohexanamide
PubChem CID145348693
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-aminoethyl)-3-methyl-4-oxohexanamide
SMILESCCC(=O)C(C)CC(=O)NCCN
InChIInChI=1S/C9H18N2O2/c1-3-8(12)7(2)6-9(13)11-5-4-10/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyCJSWNDDIQQKIHC-UHFFFAOYSA-N
XLogP0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-4-oxohexanamide?
The IUPAC name of N-(2-aminoethyl)-3-methyl-4-oxohexanamide (CID 145348693) is N-(2-aminoethyl)-3-methyl-4-oxohexanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-4-oxohexanamide?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-4-oxohexanamide is CCC(=O)C(C)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-4-oxohexanamide?
The InChIKey is CJSWNDDIQQKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(12)7(2)6-9(13)11-5-4-10/h7H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-3-methyl-4-oxohexanamide?
N-(2-aminoethyl)-3-methyl-4-oxohexanamide has a molecular weight of 186.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-4-oxohexanamide is sourced from PubChem (CID 145348693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).