(2R)-2-amino-4,4-dimethylpentanal

C7H15NO — CID 90948375

IUPAC(2R)-2-amino-4,4-dimethylpentanal
SMILESCC(C)(C)C[C@@H](N)C=O
InChIInChI=1S/C7H15NO/c1-7(2,3)4-6(8)5-9/h5-6H,4,8H2,1-3H3/t6-/m1/s1
InChIKeyZWYPHBXOMMGLHW-ZCFIWIBFSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds2

About (2R)-2-amino-4,4-dimethylpentanal

(2R)-2-amino-4,4-dimethylpentanal (PubChem CID 90948375) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R)-2-amino-4,4-dimethylpentanal.

Molecular Properties

Compound Name(2R)-2-amino-4,4-dimethylpentanal
PubChem CID90948375
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R)-2-amino-4,4-dimethylpentanal
SMILESCC(C)(C)C[C@@H](N)C=O
InChIInChI=1S/C7H15NO/c1-7(2,3)4-6(8)5-9/h5-6H,4,8H2,1-3H3/t6-/m1/s1
InChIKeyZWYPHBXOMMGLHW-ZCFIWIBFSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,4,4-triaminopentanal
CID 168758878
4,4-dimethyl-2-(trifluoromethyl)pentanal
CID 174539510
(2R)-2-amino-3-(tert-butyldisulfanyl)propanal
CID 24802017
2,4,4-trimethylpentanal;2,2,4-trimethylpentane
CID 172777004
2-methoxy-4,4-dimethylpentanal
CID 58639918
(2R)-2-amino-3-methylsulfanylpropanal
CID 56634175
2,2,6,6-tetramethylheptane-3,4-diamine
CID 175410275
1,1,1-trifluoro-4,4-dimethylpentan-2-amine
CID 63898477
N-[(3S)-3-amino-5,5-dimethylhexyl]formamide
CID 140963974
(2S)-2-amino-3-methoxypropanal
CID 18395600
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
(2R)-4,4-dimethylpentan-2-amine;hydrochloride
CID 164901043

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4-dimethylpentanal?
The IUPAC name of (2R)-2-amino-4,4-dimethylpentanal (CID 90948375) is (2R)-2-amino-4,4-dimethylpentanal.
What is the SMILES notation for (2R)-2-amino-4,4-dimethylpentanal?
The canonical SMILES for (2R)-2-amino-4,4-dimethylpentanal is CC(C)(C)C[C@@H](N)C=O.
What is the InChIKey of (2R)-2-amino-4,4-dimethylpentanal?
The InChIKey is ZWYPHBXOMMGLHW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)4-6(8)5-9/h5-6H,4,8H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-4,4-dimethylpentanal?
(2R)-2-amino-4,4-dimethylpentanal has a molecular weight of 129.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4-dimethylpentanal is sourced from PubChem (CID 90948375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).