3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane

C13H25N — CID 166020567

IUPAC3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)C12CCN(C(C)(C)C)CC1C2
InChIInChI=1S/C13H25N/c1-10(2)13-6-7-14(12(3,4)5)9-11(13)8-13/h10-11H,6-9H2,1-5H3
InChIKeyGMGPXVPIKSXJCP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.15
Rot. Bonds1

About 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane

3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 166020567) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID166020567
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)C12CCN(C(C)(C)C)CC1C2
InChIInChI=1S/C13H25N/c1-10(2)13-6-7-14(12(3,4)5)9-11(13)8-13/h10-11H,6-9H2,1-5H3
InChIKeyGMGPXVPIKSXJCP-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)butan-1-one
CID 166140429
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
3-(dimethylamino)-1-(6-propan-2-yl-3-azabicyclo[4.1.0]heptan-3-yl)propan-1-one
CID 166140427
6-tert-butyl-4-fluoro-2-methyl-6-azaspiro[2.5]octane
CID 175081538
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
3-tert-butyl-6-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine;3-tert-butyl-6-propan-2-yl-3-azabicyclo[3.1.1]heptane
CID 167633131
1-tert-butyl-N,4,4-trimethylpiperidin-3-amine
CID 117025334
4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane
CID 155690234
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 166020567) is 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC(C)C12CCN(C(C)(C)C)CC1C2.
What is the InChIKey of 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is GMGPXVPIKSXJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)13-6-7-14(12(3,4)5)9-11(13)8-13/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 195.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 166020567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).