N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide

C11H24N2O — CID 104873024

IUPACN-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)N[C@H](C)CN)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(11(3,4)5)6-10(14)13-9(2)7-12/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyFZFKUJKOQNVMSG-YGPZHTELSA-N
MW200.33 g/mol
LogP1.52
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide

N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide (PubChem CID 104873024) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
PubChem CID104873024
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)N[C@H](C)CN)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(11(3,4)5)6-10(14)13-9(2)7-12/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyFZFKUJKOQNVMSG-YGPZHTELSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminobutan-2-yl)-3,4,4-trimethylpentanamide
CID 63832497
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
tert-butyl (2R)-2-(3,4,4-trimethylpentanoylamino)propanoate
CID 81003612
4-amino-4-oxo-2-(3,4,4-trimethylpentanoylamino)butanoic acid
CID 55260321
N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
CID 63834362
(2S)-4-methyl-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 78952360
N-[(2R)-1-aminopropan-2-yl]-2-fluoro-2-methylpropanamide
CID 130562063
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 120509012
N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
CID 114383560
N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 65190783
N-(3-carbamothioylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 63834681

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide (CID 104873024) is N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide is CC(CC(=O)N[C@H](C)CN)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide?
The InChIKey is FZFKUJKOQNVMSG-YGPZHTELSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(11(3,4)5)6-10(14)13-9(2)7-12/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide?
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 104873024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).