N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide

C13H25NO — CID 129206527

IUPACN,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide
SMILESCCN(CC)C(=O)C(CC(C)C)=C(C)C
InChIInChI=1S/C13H25NO/c1-7-14(8-2)13(15)12(11(5)6)9-10(3)4/h10H,7-9H2,1-6H3
InChIKeyMISDQUULNHMSIN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds5

About N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide

N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide (PubChem CID 129206527) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide
PubChem CID129206527
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide
SMILESCCN(CC)C(=O)C(CC(C)C)=C(C)C
InChIInChI=1S/C13H25NO/c1-7-14(8-2)13(15)12(11(5)6)9-10(3)4/h10H,7-9H2,1-6H3
InChIKeyMISDQUULNHMSIN-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide?
The IUPAC name of N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide (CID 129206527) is N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide.
What is the SMILES notation for N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide?
The canonical SMILES for N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide is CCN(CC)C(=O)C(CC(C)C)=C(C)C.
What is the InChIKey of N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide?
The InChIKey is MISDQUULNHMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-14(8-2)13(15)12(11(5)6)9-10(3)4/h10H,7-9H2,1-6H3.
What are the key properties of N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide?
N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide is sourced from PubChem (CID 129206527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).