6-(tert-butylamino)-2-(methylamino)hexanal

C11H24N2O — CID 177039066

IUPAC6-(tert-butylamino)-2-(methylamino)hexanal
SMILESCNC(C=O)CCCCNC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-8-6-5-7-10(9-14)12-4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyFIWWDKHSDZQZBJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.33
Rot. Bonds7

About 6-(tert-butylamino)-2-(methylamino)hexanal

6-(tert-butylamino)-2-(methylamino)hexanal (PubChem CID 177039066) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-(methylamino)hexanal.

Molecular Properties

Compound Name6-(tert-butylamino)-2-(methylamino)hexanal
PubChem CID177039066
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name6-(tert-butylamino)-2-(methylamino)hexanal
SMILESCNC(C=O)CCCCNC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-8-6-5-7-10(9-14)12-4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyFIWWDKHSDZQZBJ-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[5-(methylamino)-6-oxohexyl]urea
CID 172563632
(2R)-6-azido-2-(methylamino)hexanal
CID 89131166
[4-(methylamino)-5-oxopentyl]urea
CID 123241233
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
3-(15N)azanylpropanoic acid;carbane;N-[5-((113C)methylamino)-6-oxohexyl]acetamide
CID 158444178
(5S)-1-(tert-butylamino)decan-5-ol
CID 118890098
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
1-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxy-2-(hydroxymethyl)propan-2-yl]-3-[5-(methylamino)-6-oxohexyl]urea
CID 172563560
N-[5-[2,6-bis(tert-butylamino)hexanoylamino]pentyl]-2,6-bis(tert-butylamino)hexanamide
CID 88594378
N-tert-butylnonadecan-1-amine
CID 87846739
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113449

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-(methylamino)hexanal?
The IUPAC name of 6-(tert-butylamino)-2-(methylamino)hexanal (CID 177039066) is 6-(tert-butylamino)-2-(methylamino)hexanal.
What is the SMILES notation for 6-(tert-butylamino)-2-(methylamino)hexanal?
The canonical SMILES for 6-(tert-butylamino)-2-(methylamino)hexanal is CNC(C=O)CCCCNC(C)(C)C.
What is the InChIKey of 6-(tert-butylamino)-2-(methylamino)hexanal?
The InChIKey is FIWWDKHSDZQZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)13-8-6-5-7-10(9-14)12-4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 6-(tert-butylamino)-2-(methylamino)hexanal?
6-(tert-butylamino)-2-(methylamino)hexanal has a molecular weight of 200.33 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-(methylamino)hexanal is sourced from PubChem (CID 177039066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).