2-methyl-6-(propan-2-ylamino)hexanamide

C10H22N2O — CID 166138021

IUPAC2-methyl-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCCCCC(C)C(N)=O
InChIInChI=1S/C10H22N2O/c1-8(2)12-7-5-4-6-9(3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyMARPQQMZDWOLOE-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds7

About 2-methyl-6-(propan-2-ylamino)hexanamide

2-methyl-6-(propan-2-ylamino)hexanamide (PubChem CID 166138021) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)hexanamide
PubChem CID166138021
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methyl-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCCCCC(C)C(N)=O
InChIInChI=1S/C10H22N2O/c1-8(2)12-7-5-4-6-9(3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyMARPQQMZDWOLOE-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-6-(propan-2-ylamino)hexanamide?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)hexanamide (CID 166138021) is 2-methyl-6-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)hexanamide?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)hexanamide is CC(C)NCCCCC(C)C(N)=O.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)hexanamide?
The InChIKey is MARPQQMZDWOLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)12-7-5-4-6-9(3)10(11)13/h8-9,12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 2-methyl-6-(propan-2-ylamino)hexanamide?
2-methyl-6-(propan-2-ylamino)hexanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 166138021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).