2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide

C15H32N2O — CID 170128200

IUPAC2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
SMILESCNCCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-14(2,3)11-12(15(4,5)6)13(18)17-10-8-9-16-7/h12,16H,8-11H2,1-7H3,(H,17,18)
InChIKeyNEJZCQPQISPASG-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.81
Rot. Bonds6

About 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide

2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide (PubChem CID 170128200) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
PubChem CID170128200
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
SMILESCNCCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-14(2,3)11-12(15(4,5)6)13(18)17-10-8-9-16-7/h12,16H,8-11H2,1-7H3,(H,17,18)
InChIKeyNEJZCQPQISPASG-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.81
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-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide (CID 170128200) is 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide is CNCCCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide?
The InChIKey is NEJZCQPQISPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2,3)11-12(15(4,5)6)13(18)17-10-8-9-16-7/h12,16H,8-11H2,1-7H3,(H,17,18).
What are the key properties of 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide?
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide has a molecular weight of 256.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide is sourced from PubChem (CID 170128200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).