N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide

C13H28N2O — CID 59170011

IUPACN-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
SMILESCCN(CC)CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(7-2)11-10-14-12(16)8-9-13(3,4)5/h6-11H2,1-5H3,(H,14,16)
InChIKeySXXBDCRXKFETCH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide

N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide (PubChem CID 59170011) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
PubChem CID59170011
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
SMILESCCN(CC)CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(7-2)11-10-14-12(16)8-9-13(3,4)5/h6-11H2,1-5H3,(H,14,16)
InChIKeySXXBDCRXKFETCH-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(3-ethyl-3-hydroxypentyl)-4,4-dimethylpentanamide
CID 130469220
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
bis[4-[2-(diethylamino)ethylamino]-4-oxobutyl] oxalate
CID 57320771
N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide
CID 121265051
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-(3,3-dimethylbutyl)butanamide
CID 115580246
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide (CID 59170011) is N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide is CCN(CC)CCNC(=O)CCC(C)(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide?
The InChIKey is SXXBDCRXKFETCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-15(7-2)11-10-14-12(16)8-9-13(3,4)5/h6-11H2,1-5H3,(H,14,16).
What are the key properties of N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide?
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 59170011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).