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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Related Compounds

2-methyl-4-piperidin-1-ylbutanamide
CID 23061678
4-(azocan-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63030294
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 43252622
N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
4-(azetidin-1-yl)-2-methylbutan-1-amine
CID 130547472
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956

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).