3-(dodecylamino)-2,2-dimethylpropanal

C17H35NO — CID 15555434

IUPAC3-(dodecylamino)-2,2-dimethylpropanal
SMILESCCCCCCCCCCCCNCC(C)(C)C=O
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-17(2,3)16-19/h16,18H,4-15H2,1-3H3
InChIKeyUADCNJHRTPVQTP-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.72
Rot. Bonds14

About 3-(dodecylamino)-2,2-dimethylpropanal

3-(dodecylamino)-2,2-dimethylpropanal (PubChem CID 15555434) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-(dodecylamino)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(dodecylamino)-2,2-dimethylpropanal
PubChem CID15555434
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-(dodecylamino)-2,2-dimethylpropanal
SMILESCCCCCCCCCCCCNCC(C)(C)C=O
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-17(2,3)16-19/h16,18H,4-15H2,1-3H3
InChIKeyUADCNJHRTPVQTP-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.72
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

2-methyl-1-(octylamino)propan-2-ol
CID 65103945
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
octane;N-octylnonan-1-amine
CID 145152206
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of 3-(dodecylamino)-2,2-dimethylpropanal?
The IUPAC name of 3-(dodecylamino)-2,2-dimethylpropanal (CID 15555434) is 3-(dodecylamino)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(dodecylamino)-2,2-dimethylpropanal?
The canonical SMILES for 3-(dodecylamino)-2,2-dimethylpropanal is CCCCCCCCCCCCNCC(C)(C)C=O.
What is the InChIKey of 3-(dodecylamino)-2,2-dimethylpropanal?
The InChIKey is UADCNJHRTPVQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-15-17(2,3)16-19/h16,18H,4-15H2,1-3H3.
What are the key properties of 3-(dodecylamino)-2,2-dimethylpropanal?
3-(dodecylamino)-2,2-dimethylpropanal has a molecular weight of 269.47 g/mol, XLogP of 4.72, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)-2,2-dimethylpropanal is sourced from PubChem (CID 15555434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).