2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide

C14H30N2O — CID 171522852

IUPAC2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide
SMILESCCNCCNC(=O)C(CC(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-7-15-8-9-16-13(17)12(10-11(2)3)14(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyFLVVUYVMMRVTKY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.42
Rot. Bonds7

About 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide

2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide (PubChem CID 171522852) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide
PubChem CID171522852
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide
SMILESCCNCCNC(=O)C(CC(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-7-15-8-9-16-13(17)12(10-11(2)3)14(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyFLVVUYVMMRVTKY-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.42
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-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide?
The IUPAC name of 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide (CID 171522852) is 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide is CCNCCNC(=O)C(CC(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide?
The InChIKey is FLVVUYVMMRVTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-15-8-9-16-13(17)12(10-11(2)3)14(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide?
2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(ethylamino)ethyl]-4-methylpentanamide is sourced from PubChem (CID 171522852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).