3-(dibutylamino)pentanal

C13H27NO — CID 22611163

IUPAC3-(dibutylamino)pentanal
SMILESCCCCN(CCCC)C(CC)CC=O
InChIInChI=1S/C13H27NO/c1-4-7-10-14(11-8-5-2)13(6-3)9-12-15/h12-13H,4-11H2,1-3H3
InChIKeyBVAMLTKHLUFDMJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.26
Rot. Bonds10

About 3-(dibutylamino)pentanal

3-(dibutylamino)pentanal (PubChem CID 22611163) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(dibutylamino)pentanal.

Molecular Properties

Compound Name3-(dibutylamino)pentanal
PubChem CID22611163
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(dibutylamino)pentanal
SMILESCCCCN(CCCC)C(CC)CC=O
InChIInChI=1S/C13H27NO/c1-4-7-10-14(11-8-5-2)13(6-3)9-12-15/h12-13H,4-11H2,1-3H3
InChIKeyBVAMLTKHLUFDMJ-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.26
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

2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
CID 63492058
3-[ethyl(octadecan-3-yl)amino]propanal
CID 173125215
N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495
N,N-dibutyltridecan-4-amine
CID 139649762
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
sodium 3-(didecylamino)pentanoate
CID 101314087
potassium 3-[di(icosyl)amino]pentanoate
CID 101314286
sodium 3-[di(heptadecyl)amino]pentanoate
CID 101314227
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine
CID 175078779
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)pentanal?
The IUPAC name of 3-(dibutylamino)pentanal (CID 22611163) is 3-(dibutylamino)pentanal.
What is the SMILES notation for 3-(dibutylamino)pentanal?
The canonical SMILES for 3-(dibutylamino)pentanal is CCCCN(CCCC)C(CC)CC=O.
What is the InChIKey of 3-(dibutylamino)pentanal?
The InChIKey is BVAMLTKHLUFDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-10-14(11-8-5-2)13(6-3)9-12-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-(dibutylamino)pentanal?
3-(dibutylamino)pentanal has a molecular weight of 213.36 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)pentanal is sourced from PubChem (CID 22611163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).