butanal;N,N-dibutylbutan-1-amine

C16H35NO — CID 174791584

IUPACbutanal;N,N-dibutylbutan-1-amine
SMILESCCCC=O.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.C4H8O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5/h4-12H2,1-3H3;4H,2-3H2,1H3
InChIKeyJNTKDUADDUPLAU-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.67
Rot. Bonds11

About butanal;N,N-dibutylbutan-1-amine

butanal;N,N-dibutylbutan-1-amine (PubChem CID 174791584) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is butanal;N,N-dibutylbutan-1-amine.

Molecular Properties

Compound Namebutanal;N,N-dibutylbutan-1-amine
PubChem CID174791584
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Namebutanal;N,N-dibutylbutan-1-amine
SMILESCCCC=O.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.C4H8O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5/h4-12H2,1-3H3;4H,2-3H2,1H3
InChIKeyJNTKDUADDUPLAU-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(didecylamino)pentanal
CID 162037939
butanal;pentanedial
CID 87991120
butanal;dihydrate
CID 144519369
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
butanal;propane
CID 142417026
alumane;butanal
CID 175259224
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
butanal;hydrate;hydrofluoride
CID 174309554
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
lithium;butanal;hydride
CID 172997577

Frequently Asked Questions

What is the IUPAC name of butanal;N,N-dibutylbutan-1-amine?
The IUPAC name of butanal;N,N-dibutylbutan-1-amine (CID 174791584) is butanal;N,N-dibutylbutan-1-amine.
What is the SMILES notation for butanal;N,N-dibutylbutan-1-amine?
The canonical SMILES for butanal;N,N-dibutylbutan-1-amine is CCCC=O.CCCCN(CCCC)CCCC.
What is the InChIKey of butanal;N,N-dibutylbutan-1-amine?
The InChIKey is JNTKDUADDUPLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C4H8O/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5/h4-12H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of butanal;N,N-dibutylbutan-1-amine?
butanal;N,N-dibutylbutan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;N,N-dibutylbutan-1-amine is sourced from PubChem (CID 174791584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).