3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide

C13H26N2O — CID 2297244

IUPAC3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-15(2)11-10-14-13(16)9-8-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyUNWPTZNTUNMDSM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

About 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide

3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 2297244) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID2297244
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-15(2)11-10-14-13(16)9-8-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyUNWPTZNTUNMDSM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide (CID 2297244) is 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is UNWPTZNTUNMDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(2)11-10-14-13(16)9-8-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide?
3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 2297244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).