3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide

C12H22N2O — CID 156678207

IUPAC3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCNC(=O)C1C2CC1CN(C(C)(C)C)C2
InChIInChI=1S/C12H22N2O/c1-12(2,3)14-6-8-5-9(7-14)10(8)11(15)13-4/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyCDAJUBWUWWCCNL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds1

About 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide

3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 156678207) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID156678207
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCNC(=O)C1C2CC1CN(C(C)(C)C)C2
InChIInChI=1S/C12H22N2O/c1-12(2,3)14-6-8-5-9(7-14)10(8)11(15)13-4/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyCDAJUBWUWWCCNL-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Piperidin-3-ylpropanamide
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2-Tert-butyl-2,9-diazaspiro[5.5]undecan-1-one
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[4,4'-Bipiperidin]-2-one
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CID 54110713
N,N-Dimethyl-3-piperidin-4-yl-butyramide
CID 54152141
N,N-dimethyl-2-(piperidin-3-yl)acetamide
CID 54388946
1-(4-Methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide (CID 156678207) is 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide is CNC(=O)C1C2CC1CN(C(C)(C)C)C2.
What is the InChIKey of 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is CDAJUBWUWWCCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)14-6-8-5-9(7-14)10(8)11(15)13-4/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyl-3-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 156678207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).