3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide

C14H28N2O — CID 2582372

IUPAC3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(2)12-6-11-15-14(17)10-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyOCKIXWYYYUFPSQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds7

About 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide

3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 2582372) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
PubChem CID2582372
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(2)12-6-11-15-14(17)10-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyOCKIXWYYYUFPSQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide (CID 2582372) is 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is OCKIXWYYYUFPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(2)12-6-11-15-14(17)10-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide?
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 2582372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).