N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide

C17H31N3O2 — CID 59932373

IUPACN,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(C)C(=O)C1CC=CCC1CNCCCN1CCOCC1
InChIInChI=1S/C17H31N3O2/c1-19(2)17(21)16-7-4-3-6-15(16)14-18-8-5-9-20-10-12-22-13-11-20/h3-4,15-16,18H,5-14H2,1-2H3
InChIKeyVEBOJFVRNBXCQK-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.97
Rot. Bonds7

About N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide

N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 59932373) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID59932373
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(C)C(=O)C1CC=CCC1CNCCCN1CCOCC1
InChIInChI=1S/C17H31N3O2/c1-19(2)17(21)16-7-4-3-6-15(16)14-18-8-5-9-20-10-12-22-13-11-20/h3-4,15-16,18H,5-14H2,1-2H3
InChIKeyVEBOJFVRNBXCQK-UHFFFAOYSA-N
XLogP0.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide (CID 59932373) is N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide is CN(C)C(=O)C1CC=CCC1CNCCCN1CCOCC1.
What is the InChIKey of N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is VEBOJFVRNBXCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)17(21)16-7-4-3-6-15(16)14-18-8-5-9-20-10-12-22-13-11-20/h3-4,15-16,18H,5-14H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide?
N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 59932373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).