N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane

C16H33N3O — CID 90905571

IUPACN,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane
SMILESCC.CN(C)CC1CC=CCC1C(=O)N(C)CN(C)C
InChIInChI=1S/C14H27N3O.C2H6/c1-15(2)10-12-8-6-7-9-13(12)14(18)17(5)11-16(3)4;1-2/h6-7,12-13H,8-11H2,1-5H3;1-2H3
InChIKeyYNPMSQQWRWRBOT-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds5

About N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane

N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane (PubChem CID 90905571) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane.

Molecular Properties

Compound NameN,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane
PubChem CID90905571
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane
SMILESCC.CN(C)CC1CC=CCC1C(=O)N(C)CN(C)C
InChIInChI=1S/C14H27N3O.C2H6/c1-15(2)10-12-8-6-7-9-13(12)14(18)17(5)11-16(3)4;1-2/h6-7,12-13H,8-11H2,1-5H3;1-2H3
InChIKeyYNPMSQQWRWRBOT-UHFFFAOYSA-N
XLogP2.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane?
The IUPAC name of N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane (CID 90905571) is N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane.
What is the SMILES notation for N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane?
The canonical SMILES for N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane is CC.CN(C)CC1CC=CCC1C(=O)N(C)CN(C)C.
What is the InChIKey of N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane?
The InChIKey is YNPMSQQWRWRBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C2H6/c1-15(2)10-12-8-6-7-9-13(12)14(18)17(5)11-16(3)4;1-2/h6-7,12-13H,8-11H2,1-5H3;1-2H3.
What are the key properties of N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane?
N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane has a molecular weight of 283.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis[(dimethylamino)methyl]-N-methylcyclohex-3-ene-1-carboxamide;ethane is sourced from PubChem (CID 90905571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).