N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide

C15H28N2O2 — CID 59932393

IUPACN-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCOCC1CC=CCC1C(=O)N(C)CCCN(C)C
InChIInChI=1S/C15H28N2O2/c1-16(2)10-7-11-17(3)15(18)14-9-6-5-8-13(14)12-19-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyXIZAQYABHBYYJL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.63
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide

N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 59932393) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID59932393
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCOCC1CC=CCC1C(=O)N(C)CCCN(C)C
InChIInChI=1S/C15H28N2O2/c1-16(2)10-7-11-17(3)15(18)14-9-6-5-8-13(14)12-19-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyXIZAQYABHBYYJL-UHFFFAOYSA-N
XLogP1.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide (CID 59932393) is N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide is COCC1CC=CCC1C(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is XIZAQYABHBYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16(2)10-7-11-17(3)15(18)14-9-6-5-8-13(14)12-19-4/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide?
N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(methoxymethyl)-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 59932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).