N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide

C14H26N2O — CID 139966732

IUPACN-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(N(CC)CC)CC1
InChIInChI=1S/C14H26N2O/c1-5-16(6-2)13-9-7-12(8-10-13)15-14(17)11(3)4/h12-13H,3,5-10H2,1-2,4H3,(H,15,17)
InChIKeyUMBWLSATMJIVDX-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.33
Rot. Bonds5

About N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide

N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide (PubChem CID 139966732) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide
PubChem CID139966732
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(N(CC)CC)CC1
InChIInChI=1S/C14H26N2O/c1-5-16(6-2)13-9-7-12(8-10-13)15-14(17)11(3)4/h12-13H,3,5-10H2,1-2,4H3,(H,15,17)
InChIKeyUMBWLSATMJIVDX-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide (CID 139966732) is N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC1CCC(N(CC)CC)CC1.
What is the InChIKey of N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide?
The InChIKey is UMBWLSATMJIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-16(6-2)13-9-7-12(8-10-13)15-14(17)11(3)4/h12-13H,3,5-10H2,1-2,4H3,(H,15,17).
What are the key properties of N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide?
N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide has a molecular weight of 238.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)cyclohexyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139966732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).