(2R)-2-amino-2-methylnonanal

C10H21NO — CID 145052924

IUPAC(2R)-2-amino-2-methylnonanal
SMILESCCCCCCC[C@@](C)(N)C=O
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-10(2,11)9-12/h9H,3-8,11H2,1-2H3/t10-/m1/s1
InChIKeyDCJLALRPKNCWTQ-SNVBAGLBSA-N
MW171.28 g/mol
LogP2.26
Rot. Bonds7

About (2R)-2-amino-2-methylnonanal

(2R)-2-amino-2-methylnonanal (PubChem CID 145052924) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R)-2-amino-2-methylnonanal.

Molecular Properties

Compound Name(2R)-2-amino-2-methylnonanal
PubChem CID145052924
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R)-2-amino-2-methylnonanal
SMILESCCCCCCC[C@@](C)(N)C=O
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-10(2,11)9-12/h9H,3-8,11H2,1-2H3/t10-/m1/s1
InChIKeyDCJLALRPKNCWTQ-SNVBAGLBSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methylundecanal
CID 175716419
(2R)-2-amino-2-methylhexanal
CID 144823365
(Z)-4-amino-4-methylundec-2-enal
CID 167028790
2,2-diaminononadecanal
CID 174639671
2-hydroxy-2-methylundecanal
CID 66038378
2-methyl-2-sulfanyldecanal
CID 154228508
formic acid;9-octylheptadecan-9-amine
CID 173166613
2-methyloctane-1,2-diamine
CID 43519506
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylnonanal?
The IUPAC name of (2R)-2-amino-2-methylnonanal (CID 145052924) is (2R)-2-amino-2-methylnonanal.
What is the SMILES notation for (2R)-2-amino-2-methylnonanal?
The canonical SMILES for (2R)-2-amino-2-methylnonanal is CCCCCCC[C@@](C)(N)C=O.
What is the InChIKey of (2R)-2-amino-2-methylnonanal?
The InChIKey is DCJLALRPKNCWTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-8-10(2,11)9-12/h9H,3-8,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-methylnonanal?
(2R)-2-amino-2-methylnonanal has a molecular weight of 171.28 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methylnonanal is sourced from PubChem (CID 145052924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).