4-(azetidin-1-yl)-N,N,2-trimethylbutanamide

C10H20N2O — CID 174480580

IUPAC4-(azetidin-1-yl)-N,N,2-trimethylbutanamide
SMILESCC(CCN1CCC1)C(=O)N(C)C
InChIInChI=1S/C10H20N2O/c1-9(10(13)11(2)3)5-8-12-6-4-7-12/h9H,4-8H2,1-3H3
InChIKeyKQZLCLSNACGALL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds4

About 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide

4-(azetidin-1-yl)-N,N,2-trimethylbutanamide (PubChem CID 174480580) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide.

Molecular Properties

Compound Name4-(azetidin-1-yl)-N,N,2-trimethylbutanamide
PubChem CID174480580
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(azetidin-1-yl)-N,N,2-trimethylbutanamide
SMILESCC(CCN1CCC1)C(=O)N(C)C
InChIInChI=1S/C10H20N2O/c1-9(10(13)11(2)3)5-8-12-6-4-7-12/h9H,4-8H2,1-3H3
InChIKeyKQZLCLSNACGALL-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide?
The IUPAC name of 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide (CID 174480580) is 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide.
What is the SMILES notation for 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide?
The canonical SMILES for 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide is CC(CCN1CCC1)C(=O)N(C)C.
What is the InChIKey of 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide?
The InChIKey is KQZLCLSNACGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(10(13)11(2)3)5-8-12-6-4-7-12/h9H,4-8H2,1-3H3.
What are the key properties of 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide?
4-(azetidin-1-yl)-N,N,2-trimethylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-N,N,2-trimethylbutanamide is sourced from PubChem (CID 174480580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).