2-amino-2-methylundecanal

C12H25NO — CID 175716419

IUPAC2-amino-2-methylundecanal
SMILESCCCCCCCCCC(C)(N)C=O
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(2,13)11-14/h11H,3-10,13H2,1-2H3
InChIKeyFRRAMRRDHOHZEY-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.04
Rot. Bonds9

About 2-amino-2-methylundecanal

2-amino-2-methylundecanal (PubChem CID 175716419) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-amino-2-methylundecanal.

Molecular Properties

Compound Name2-amino-2-methylundecanal
PubChem CID175716419
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-amino-2-methylundecanal
SMILESCCCCCCCCCC(C)(N)C=O
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(2,13)11-14/h11H,3-10,13H2,1-2H3
InChIKeyFRRAMRRDHOHZEY-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.04
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

(2R)-2-amino-2-methylnonanal
CID 145052924
(2R)-2-amino-2-methylhexanal
CID 144823365
(Z)-4-amino-4-methylundec-2-enal
CID 167028790
2,2-diaminononadecanal
CID 174639671
formic acid;9-octylheptadecan-9-amine
CID 173166613
2-methyl-2-sulfanyldecanal
CID 154228508
2-hydroxy-2-methylundecanal
CID 66038378
2-methyloctane-1,2-diamine
CID 43519506
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentacosan-2-amine;hydrochloride
CID 173079320

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylundecanal?
The IUPAC name of 2-amino-2-methylundecanal (CID 175716419) is 2-amino-2-methylundecanal.
What is the SMILES notation for 2-amino-2-methylundecanal?
The canonical SMILES for 2-amino-2-methylundecanal is CCCCCCCCCC(C)(N)C=O.
What is the InChIKey of 2-amino-2-methylundecanal?
The InChIKey is FRRAMRRDHOHZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(2,13)11-14/h11H,3-10,13H2,1-2H3.
What are the key properties of 2-amino-2-methylundecanal?
2-amino-2-methylundecanal has a molecular weight of 199.34 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylundecanal is sourced from PubChem (CID 175716419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).