N,N-ditert-butyl-2-methylidenepentanamide

C14H27NO — CID 87268966

IUPACN,N-ditert-butyl-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-9-10-11(2)12(16)15(13(3,4)5)14(6,7)8/h2,9-10H2,1,3-8H3
InChIKeyMNUJJKUOJNISMV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.77
Rot. Bonds3

About N,N-ditert-butyl-2-methylidenepentanamide

N,N-ditert-butyl-2-methylidenepentanamide (PubChem CID 87268966) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-ditert-butyl-2-methylidenepentanamide.

Molecular Properties

Compound NameN,N-ditert-butyl-2-methylidenepentanamide
PubChem CID87268966
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN,N-ditert-butyl-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-9-10-11(2)12(16)15(13(3,4)5)14(6,7)8/h2,9-10H2,1,3-8H3
InChIKeyMNUJJKUOJNISMV-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.77
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-ditert-butyl-2-methylidenepentanamide?
The IUPAC name of N,N-ditert-butyl-2-methylidenepentanamide (CID 87268966) is N,N-ditert-butyl-2-methylidenepentanamide.
What is the SMILES notation for N,N-ditert-butyl-2-methylidenepentanamide?
The canonical SMILES for N,N-ditert-butyl-2-methylidenepentanamide is C=C(CCC)C(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-2-methylidenepentanamide?
The InChIKey is MNUJJKUOJNISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-9-10-11(2)12(16)15(13(3,4)5)14(6,7)8/h2,9-10H2,1,3-8H3.
What are the key properties of N,N-ditert-butyl-2-methylidenepentanamide?
N,N-ditert-butyl-2-methylidenepentanamide has a molecular weight of 225.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2-methylidenepentanamide is sourced from PubChem (CID 87268966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).