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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Related Compounds

N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
N-(5-aminopentyl)-N,3-dimethylpentanamide
CID 107206770
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
N-(2-aminoethyl)-2-ethoxy-N-methylacetamide
CID 61350460
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide
CID 58165945
N-(2-aminoethyl)-N-methylcarbamoyl iodide
CID 147395077
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
N-methyl-N-(2-methyl-3-oxobutyl)acetamide
CID 130029247
N-(2-aminoethyl)-N,3-dimethylbut-2-enamide
CID 62681125
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211

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).