N,N-ditert-butyl-2-methylidenehexanamide

C15H29NO — CID 87268971

IUPACN,N-ditert-butyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-9-10-11-12(2)13(17)16(14(3,4)5)15(6,7)8/h2,9-11H2,1,3-8H3
InChIKeyGVGKGNGUZCQNHY-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.16
Rot. Bonds4

About N,N-ditert-butyl-2-methylidenehexanamide

N,N-ditert-butyl-2-methylidenehexanamide (PubChem CID 87268971) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N,N-ditert-butyl-2-methylidenehexanamide.

Molecular Properties

Compound NameN,N-ditert-butyl-2-methylidenehexanamide
PubChem CID87268971
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN,N-ditert-butyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-9-10-11-12(2)13(17)16(14(3,4)5)15(6,7)8/h2,9-11H2,1,3-8H3
InChIKeyGVGKGNGUZCQNHY-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.16
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-methylidenehexanamide?
The IUPAC name of N,N-ditert-butyl-2-methylidenehexanamide (CID 87268971) is N,N-ditert-butyl-2-methylidenehexanamide.
What is the SMILES notation for N,N-ditert-butyl-2-methylidenehexanamide?
The canonical SMILES for N,N-ditert-butyl-2-methylidenehexanamide is C=C(CCCC)C(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-2-methylidenehexanamide?
The InChIKey is GVGKGNGUZCQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-9-10-11-12(2)13(17)16(14(3,4)5)15(6,7)8/h2,9-11H2,1,3-8H3.
What are the key properties of N,N-ditert-butyl-2-methylidenehexanamide?
N,N-ditert-butyl-2-methylidenehexanamide has a molecular weight of 239.40 g/mol, XLogP of 4.16, 4 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-methylidenehexanamide is sourced from PubChem (CID 87268971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).