3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide

C14H28N2O — CID 113497133

IUPAC3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide
SMILESCCC1(NC(=O)CC(N)CC(C)(C)C)CCC1
InChIInChI=1S/C14H28N2O/c1-5-14(7-6-8-14)16-12(17)9-11(15)10-13(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyBENQOHXTXHEGEP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.59
Rot. Bonds5

About 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide

3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide (PubChem CID 113497133) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide
PubChem CID113497133
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide
SMILESCCC1(NC(=O)CC(N)CC(C)(C)C)CCC1
InChIInChI=1S/C14H28N2O/c1-5-14(7-6-8-14)16-12(17)9-11(15)10-13(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeyBENQOHXTXHEGEP-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide (CID 113497133) is 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide is CCC1(NC(=O)CC(N)CC(C)(C)C)CCC1.
What is the InChIKey of 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide?
The InChIKey is BENQOHXTXHEGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-14(7-6-8-14)16-12(17)9-11(15)10-13(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide?
3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide has a molecular weight of 240.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylcyclobutyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 113497133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).