3-(2,2-dimethylhexylamino)propanal

C11H23NO — CID 174943135

IUPAC3-(2,2-dimethylhexylamino)propanal
SMILESCCCCC(C)(C)CNCCC=O
InChIInChI=1S/C11H23NO/c1-4-5-7-11(2,3)10-12-8-6-9-13/h9,12H,4-8,10H2,1-3H3
InChIKeyYCXLVBIBLZHPAU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds8

About 3-(2,2-dimethylhexylamino)propanal

3-(2,2-dimethylhexylamino)propanal (PubChem CID 174943135) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(2,2-dimethylhexylamino)propanal.

Molecular Properties

Compound Name3-(2,2-dimethylhexylamino)propanal
PubChem CID174943135
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(2,2-dimethylhexylamino)propanal
SMILESCCCCC(C)(C)CNCCC=O
InChIInChI=1S/C11H23NO/c1-4-5-7-11(2,3)10-12-8-6-9-13/h9,12H,4-8,10H2,1-3H3
InChIKeyYCXLVBIBLZHPAU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
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

3-[(1-Fluoro-3,3-dimethylbutyl)amino]propanal
CID 88884034
3-(Butylamino)-2,2-dimethylpropanal
CID 15555429
3-(Dodecylamino)-2,2-dimethylpropanal
CID 15555434
3-(8-Methylnonylamino)propanal
CID 18625196
3-(Dodecylamino)propanal
CID 19937303
3-(Heptylamino)propanal
CID 21129259
3-(7-Methyloctylamino)propanal;hydrochloride
CID 21689076
3-(7-Methyloctylamino)propanal
CID 21689077
3-(Decylamino)propanal
CID 21760175
3-(Octylamino)propanal
CID 54443999
3-(2,2-Dimethylbutylamino)propanal
CID 54538496
3-(4,4-Dimethylpentan-2-ylamino)propanal
CID 58518911

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhexylamino)propanal?
The IUPAC name of 3-(2,2-dimethylhexylamino)propanal (CID 174943135) is 3-(2,2-dimethylhexylamino)propanal.
What is the SMILES notation for 3-(2,2-dimethylhexylamino)propanal?
The canonical SMILES for 3-(2,2-dimethylhexylamino)propanal is CCCCC(C)(C)CNCCC=O.
What is the InChIKey of 3-(2,2-dimethylhexylamino)propanal?
The InChIKey is YCXLVBIBLZHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-7-11(2,3)10-12-8-6-9-13/h9,12H,4-8,10H2,1-3H3.
What are the key properties of 3-(2,2-dimethylhexylamino)propanal?
3-(2,2-dimethylhexylamino)propanal has a molecular weight of 185.31 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhexylamino)propanal is sourced from PubChem (CID 174943135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).