N-(1-tert-butylazetidin-3-yl)-N-methylacetamide

C10H20N2O — CID 59439188

IUPACN-(1-tert-butylazetidin-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(13)11(5)9-6-12(7-9)10(2,3)4/h9H,6-7H2,1-5H3
InChIKeyBPPDAJVMPLAIEW-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds1

About N-(1-tert-butylazetidin-3-yl)-N-methylacetamide

N-(1-tert-butylazetidin-3-yl)-N-methylacetamide (PubChem CID 59439188) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(1-tert-butylazetidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-tert-butylazetidin-3-yl)-N-methylacetamide
PubChem CID59439188
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(1-tert-butylazetidin-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(13)11(5)9-6-12(7-9)10(2,3)4/h9H,6-7H2,1-5H3
InChIKeyBPPDAJVMPLAIEW-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylazetidin-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-tert-butylazetidin-3-yl)-N-methylacetamide (CID 59439188) is N-(1-tert-butylazetidin-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-tert-butylazetidin-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-tert-butylazetidin-3-yl)-N-methylacetamide is CC(=O)N(C)C1CN(C(C)(C)C)C1.
What is the InChIKey of N-(1-tert-butylazetidin-3-yl)-N-methylacetamide?
The InChIKey is BPPDAJVMPLAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(13)11(5)9-6-12(7-9)10(2,3)4/h9H,6-7H2,1-5H3.
What are the key properties of N-(1-tert-butylazetidin-3-yl)-N-methylacetamide?
N-(1-tert-butylazetidin-3-yl)-N-methylacetamide has a molecular weight of 184.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylazetidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 59439188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).