N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide

C14H26N2O — CID 79115434

IUPACN-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)N(CC)C1CCC(N)CC1
InChIInChI=1S/C14H26N2O/c1-4-6-11(3)14(17)16(5-2)13-9-7-12(15)8-10-13/h6,12-13H,4-5,7-10,15H2,1-3H3
InChIKeyIZBFGSINASWVLK-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.46
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide

N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide (PubChem CID 79115434) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
PubChem CID79115434
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)N(CC)C1CCC(N)CC1
InChIInChI=1S/C14H26N2O/c1-4-6-11(3)14(17)16(5-2)13-9-7-12(15)8-10-13/h6,12-13H,4-5,7-10,15H2,1-3H3
InChIKeyIZBFGSINASWVLK-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.46
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-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide (CID 79115434) is N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide is CCC=C(C)C(=O)N(CC)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide?
The InChIKey is IZBFGSINASWVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-11(3)14(17)16(5-2)13-9-7-12(15)8-10-13/h6,12-13H,4-5,7-10,15H2,1-3H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide?
N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide has a molecular weight of 238.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide is sourced from PubChem (CID 79115434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).