2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide

C15H31NO — CID 129056224

IUPAC2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide
SMILESCC(C)CC(C)C(=O)NCC(C)CC(C)(C)C
InChIInChI=1S/C15H31NO/c1-11(2)8-13(4)14(17)16-10-12(3)9-15(5,6)7/h11-13H,8-10H2,1-7H3,(H,16,17)
InChIKeyJEEZJKKUCKECRI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.86
Rot. Bonds6

About 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide

2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide (PubChem CID 129056224) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide
PubChem CID129056224
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide
SMILESCC(C)CC(C)C(=O)NCC(C)CC(C)(C)C
InChIInChI=1S/C15H31NO/c1-11(2)8-13(4)14(17)16-10-12(3)9-15(5,6)7/h11-13H,8-10H2,1-7H3,(H,16,17)
InChIKeyJEEZJKKUCKECRI-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
N,N'-bis(4-amino-2-methylpentyl)-2,4-dimethylpentanediamide
CID 118357196
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
CID 177180681
methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 129050762
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
CID 64665441
2-[(4,4-dimethylpentan-2-ylamino)methyl]-4-methylpentanoic acid
CID 122128173
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylpentanamide
CID 163254959
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
CID 87823358
CID 87823358

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide?
The IUPAC name of 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide (CID 129056224) is 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide.
What is the SMILES notation for 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide?
The canonical SMILES for 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide is CC(C)CC(C)C(=O)NCC(C)CC(C)(C)C.
What is the InChIKey of 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide?
The InChIKey is JEEZJKKUCKECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(2)8-13(4)14(17)16-10-12(3)9-15(5,6)7/h11-13H,8-10H2,1-7H3,(H,16,17).
What are the key properties of 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide?
2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide has a molecular weight of 241.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2,4,4-trimethylpentyl)pentanamide is sourced from PubChem (CID 129056224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).