N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide

C13H24N2O2 — CID 21266159

IUPACN-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide
SMILESCN(C)CCCNC(=O)C1CC=CCC1CO
InChIInChI=1S/C13H24N2O2/c1-15(2)9-5-8-14-13(17)12-7-4-3-6-11(12)10-16/h3-4,11-12,16H,5-10H2,1-2H3,(H,14,17)
InChIKeyRHPVILOHYYQGQF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.63
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide

N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 21266159) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide
PubChem CID21266159
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide
SMILESCN(C)CCCNC(=O)C1CC=CCC1CO
InChIInChI=1S/C13H24N2O2/c1-15(2)9-5-8-14-13(17)12-7-4-3-6-11(12)10-16/h3-4,11-12,16H,5-10H2,1-2H3,(H,14,17)
InChIKeyRHPVILOHYYQGQF-UHFFFAOYSA-N
XLogP0.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide (CID 21266159) is N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide is CN(C)CCCNC(=O)C1CC=CCC1CO.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RHPVILOHYYQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(2)9-5-8-14-13(17)12-7-4-3-6-11(12)10-16/h3-4,11-12,16H,5-10H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide?
N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 21266159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).