(2R)-2-amino-2-methylhexanal

C7H15NO — CID 144823365

IUPAC(2R)-2-amino-2-methylhexanal
SMILESCCCC[C@@](C)(N)C=O
InChIInChI=1S/C7H15NO/c1-3-4-5-7(2,8)6-9/h6H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyBQWZWRUJBCUSKC-SSDOTTSWSA-N
MW129.20 g/mol
LogP1.09
Rot. Bonds4

About (2R)-2-amino-2-methylhexanal

(2R)-2-amino-2-methylhexanal (PubChem CID 144823365) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R)-2-amino-2-methylhexanal.

Molecular Properties

Compound Name(2R)-2-amino-2-methylhexanal
PubChem CID144823365
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R)-2-amino-2-methylhexanal
SMILESCCCC[C@@](C)(N)C=O
InChIInChI=1S/C7H15NO/c1-3-4-5-7(2,8)6-9/h6H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyBQWZWRUJBCUSKC-SSDOTTSWSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.09
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

(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
2-amino-2-ethylhexanal
CID 89415395
CID 59070082
CID 59070082
2,2-dibutylpropanedial
CID 15324202
2-methyl-2-phosphanylpentanal
CID 145198471
(Z)-4-amino-4-methylundec-2-enal
CID 167028790
2-methyl-2-sulfanylhexanal
CID 88843028
2,2-diaminononadecanal
CID 174639671
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
4-amino-4-methyl-5-oxopentanamide
CID 20716475
2-butyl-2-methoxypropanedial
CID 141040124

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylhexanal?
The IUPAC name of (2R)-2-amino-2-methylhexanal (CID 144823365) is (2R)-2-amino-2-methylhexanal.
What is the SMILES notation for (2R)-2-amino-2-methylhexanal?
The canonical SMILES for (2R)-2-amino-2-methylhexanal is CCCC[C@@](C)(N)C=O.
What is the InChIKey of (2R)-2-amino-2-methylhexanal?
The InChIKey is BQWZWRUJBCUSKC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-7(2,8)6-9/h6H,3-5,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-methylhexanal?
(2R)-2-amino-2-methylhexanal has a molecular weight of 129.20 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methylhexanal is sourced from PubChem (CID 144823365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).