N,2-dimethylpropan-2-amine;2-methylpentanal

C11H25NO — CID 153346269

IUPACN,2-dimethylpropan-2-amine;2-methylpentanal
SMILESCCCC(C)C=O.CNC(C)(C)C
InChIInChI=1S/C6H12O.C5H13N/c1-3-4-6(2)5-7;1-5(2,3)6-4/h5-6H,3-4H2,1-2H3;6H,1-4H3
InChIKeyVYIISDWSBOKABF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.63
Rot. Bonds3

About N,2-dimethylpropan-2-amine;2-methylpentanal

N,2-dimethylpropan-2-amine;2-methylpentanal (PubChem CID 153346269) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,2-dimethylpropan-2-amine;2-methylpentanal.

Molecular Properties

Compound NameN,2-dimethylpropan-2-amine;2-methylpentanal
PubChem CID153346269
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,2-dimethylpropan-2-amine;2-methylpentanal
SMILESCCCC(C)C=O.CNC(C)(C)C
InChIInChI=1S/C6H12O.C5H13N/c1-3-4-6(2)5-7;1-5(2,3)6-4/h5-6H,3-4H2,1-2H3;6H,1-4H3
InChIKeyVYIISDWSBOKABF-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-2-amine;2-methylpentanal?
The IUPAC name of N,2-dimethylpropan-2-amine;2-methylpentanal (CID 153346269) is N,2-dimethylpropan-2-amine;2-methylpentanal.
What is the SMILES notation for N,2-dimethylpropan-2-amine;2-methylpentanal?
The canonical SMILES for N,2-dimethylpropan-2-amine;2-methylpentanal is CCCC(C)C=O.CNC(C)(C)C.
What is the InChIKey of N,2-dimethylpropan-2-amine;2-methylpentanal?
The InChIKey is VYIISDWSBOKABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H13N/c1-3-4-6(2)5-7;1-5(2,3)6-4/h5-6H,3-4H2,1-2H3;6H,1-4H3.
What are the key properties of N,2-dimethylpropan-2-amine;2-methylpentanal?
N,2-dimethylpropan-2-amine;2-methylpentanal has a molecular weight of 187.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-2-amine;2-methylpentanal is sourced from PubChem (CID 153346269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).