N,N-di(propan-2-yl)hexanamide

C12H25NO — CID 4113441

IUPACN,N-di(propan-2-yl)hexanamide
SMILESCCCCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-6-7-8-9-12(14)13(10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyUACHIVDVEAIYRQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.21
Rot. Bonds6

About N,N-di(propan-2-yl)hexanamide

N,N-di(propan-2-yl)hexanamide (PubChem CID 4113441) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N-di(propan-2-yl)hexanamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)hexanamide
PubChem CID4113441
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,N-di(propan-2-yl)hexanamide
SMILESCCCCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-6-7-8-9-12(14)13(10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyUACHIVDVEAIYRQ-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)hexanamide?
The IUPAC name of N,N-di(propan-2-yl)hexanamide (CID 4113441) is N,N-di(propan-2-yl)hexanamide.
What is the SMILES notation for N,N-di(propan-2-yl)hexanamide?
The canonical SMILES for N,N-di(propan-2-yl)hexanamide is CCCCCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)hexanamide?
The InChIKey is UACHIVDVEAIYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-8-9-12(14)13(10(2)3)11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of N,N-di(propan-2-yl)hexanamide?
N,N-di(propan-2-yl)hexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)hexanamide is sourced from PubChem (CID 4113441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).