3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal

C14H27NO2 — CID 87360244

IUPAC3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal
SMILESCC(O)CN(CC(C)(C)C=O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-12(17)9-15(10-14(2,3)11-16)13-7-5-4-6-8-13/h11-13,17H,4-10H2,1-3H3
InChIKeyCTKXYSNWXRPMMU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.23
Rot. Bonds6

About 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal

3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal (PubChem CID 87360244) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal
PubChem CID87360244
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal
SMILESCC(O)CN(CC(C)(C)C=O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-12(17)9-15(10-14(2,3)11-16)13-7-5-4-6-8-13/h11-13,17H,4-10H2,1-3H3
InChIKeyCTKXYSNWXRPMMU-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal (CID 87360244) is 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal is CC(O)CN(CC(C)(C)C=O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
The InChIKey is CTKXYSNWXRPMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(17)9-15(10-14(2,3)11-16)13-7-5-4-6-8-13/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal?
3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal has a molecular weight of 241.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxypropyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 87360244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).