2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

C14H30N2O — CID 76887560

IUPAC2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-12(2,3)9-14(7,8)16-11(17)10(15)13(4,5)6/h10H,9,15H2,1-8H3,(H,16,17)
InChIKeyBZIQLLRPAMNIHX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 76887560) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID76887560
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-12(2,3)9-14(7,8)16-11(17)10(15)13(4,5)6/h10H,9,15H2,1-8H3,(H,16,17)
InChIKeyBZIQLLRPAMNIHX-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 104862136
ethyl 3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanoate
CID 116537949
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
2-amino-5-methoxy-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 81082635
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
(2S)-2-amino-N-hydroxy-3,3-dimethylbutanamide
CID 63992597

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 76887560) is 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)(C)CC(C)(C)NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is BZIQLLRPAMNIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2,3)9-14(7,8)16-11(17)10(15)13(4,5)6/h10H,9,15H2,1-8H3,(H,16,17).
What are the key properties of 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 242.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 76887560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).