3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane

C10H19N — CID 91344332

IUPAC3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane
SMILESCCC(C)C1NC2(C)CCC12
InChIInChI=1S/C10H19N/c1-4-7(2)9-8-5-6-10(8,3)11-9/h7-9,11H,4-6H2,1-3H3
InChIKeyUNDHUCOGSAHHSN-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds2

About 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane

3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane (PubChem CID 91344332) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane
PubChem CID91344332
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane
SMILESCCC(C)C1NC2(C)CCC12
InChIInChI=1S/C10H19N/c1-4-7(2)9-8-5-6-10(8,3)11-9/h7-9,11H,4-6H2,1-3H3
InChIKeyUNDHUCOGSAHHSN-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane?
The IUPAC name of 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane (CID 91344332) is 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane.
What is the SMILES notation for 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane?
The canonical SMILES for 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane is CCC(C)C1NC2(C)CCC12.
What is the InChIKey of 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane?
The InChIKey is UNDHUCOGSAHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7(2)9-8-5-6-10(8,3)11-9/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane?
3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane has a molecular weight of 153.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane is sourced from PubChem (CID 91344332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).