N-[2-(diethylamino)propyl]-4-methylpentanamide

C13H28N2O — CID 86982986

IUPACN-[2-(diethylamino)propyl]-4-methylpentanamide
SMILESCCN(CC)C(C)CNC(=O)CCC(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(7-2)12(5)10-14-13(16)9-8-11(3)4/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKeyNUGCOXPWABJKTJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(diethylamino)propyl]-4-methylpentanamide

N-[2-(diethylamino)propyl]-4-methylpentanamide (PubChem CID 86982986) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-methylpentanamide
PubChem CID86982986
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(diethylamino)propyl]-4-methylpentanamide
SMILESCCN(CC)C(C)CNC(=O)CCC(C)C
InChIInChI=1S/C13H28N2O/c1-6-15(7-2)12(5)10-14-13(16)9-8-11(3)4/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKeyNUGCOXPWABJKTJ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-[2-(diethylamino)propyl]-3-(5-methylhexan-2-yl)urea
CID 112828668
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-(2-aminobutyl)-4-methylpentanamide
CID 63730752
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
4-amino-N-[2-(diethylamino)-4-methylpentyl]pentanamide
CID 120564481
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide
CID 82110387
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
N-[2-(diethylamino)propyl]-2-ethylbutanamide
CID 78883396
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-methylpentanamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-methylpentanamide (CID 86982986) is N-[2-(diethylamino)propyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-methylpentanamide is CCN(CC)C(C)CNC(=O)CCC(C)C.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-methylpentanamide?
The InChIKey is NUGCOXPWABJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-15(7-2)12(5)10-14-13(16)9-8-11(3)4/h11-12H,6-10H2,1-5H3,(H,14,16).
What are the key properties of N-[2-(diethylamino)propyl]-4-methylpentanamide?
N-[2-(diethylamino)propyl]-4-methylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-methylpentanamide is sourced from PubChem (CID 86982986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).