N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide

C9H18N2O2 — CID 170240905

IUPACN-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide
SMILESCC(=O)C(C)CC(=O)N(C)CCN
InChIInChI=1S/C9H18N2O2/c1-7(8(2)12)6-9(13)11(3)5-4-10/h7H,4-6,10H2,1-3H3
InChIKeyFRVIGIRVNHJJDC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.02
Rot. Bonds5

About N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide

N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide (PubChem CID 170240905) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide
PubChem CID170240905
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide
SMILESCC(=O)C(C)CC(=O)N(C)CCN
InChIInChI=1S/C9H18N2O2/c1-7(8(2)12)6-9(13)11(3)5-4-10/h7H,4-6,10H2,1-3H3
InChIKeyFRVIGIRVNHJJDC-UHFFFAOYSA-N
XLogP0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide?
The IUPAC name of N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide (CID 170240905) is N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide.
What is the SMILES notation for N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide?
The canonical SMILES for N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide is CC(=O)C(C)CC(=O)N(C)CCN.
What is the InChIKey of N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide?
The InChIKey is FRVIGIRVNHJJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(8(2)12)6-9(13)11(3)5-4-10/h7H,4-6,10H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide?
N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide has a molecular weight of 186.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N,3-dimethyl-4-oxopentanamide is sourced from PubChem (CID 170240905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).