7-tert-butylbicyclo[4.1.0]heptan-7-amine

C11H21N — CID 79330672

IUPAC7-tert-butylbicyclo[4.1.0]heptan-7-amine
SMILESCC(C)(C)C1(N)C2CCCCC21
InChIInChI=1S/C11H21N/c1-10(2,3)11(12)8-6-4-5-7-9(8)11/h8-9H,4-7,12H2,1-3H3
InChIKeySFPZUCQBQHUBDT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds

About 7-tert-butylbicyclo[4.1.0]heptan-7-amine

7-tert-butylbicyclo[4.1.0]heptan-7-amine (PubChem CID 79330672) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 7-tert-butylbicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-tert-butylbicyclo[4.1.0]heptan-7-amine
PubChem CID79330672
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name7-tert-butylbicyclo[4.1.0]heptan-7-amine
SMILESCC(C)(C)C1(N)C2CCCCC21
InChIInChI=1S/C11H21N/c1-10(2,3)11(12)8-6-4-5-7-9(8)11/h8-9H,4-7,12H2,1-3H3
InChIKeySFPZUCQBQHUBDT-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine
CID 79331599
4-tert-butyl-1-cyclopentylcyclohexan-1-amine
CID 43809413
7-(3-methylcyclohexyl)bicyclo[4.1.0]heptan-7-amine
CID 79331390
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine
CID 79331490
7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
CID 79330475
1-(2-cyclohexylpropan-2-yl)cyclohexan-1-amine
CID 69169496
6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
CID 130517388
2-cyclopentylbutan-2-amine
CID 43810238
1-(2-ethylcyclohexyl)cyclopropan-1-amine
CID 84731722
7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
CID 130484131

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylbicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-tert-butylbicyclo[4.1.0]heptan-7-amine (CID 79330672) is 7-tert-butylbicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-tert-butylbicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-tert-butylbicyclo[4.1.0]heptan-7-amine is CC(C)(C)C1(N)C2CCCCC21.
What is the InChIKey of 7-tert-butylbicyclo[4.1.0]heptan-7-amine?
The InChIKey is SFPZUCQBQHUBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)11(12)8-6-4-5-7-9(8)11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 7-tert-butylbicyclo[4.1.0]heptan-7-amine?
7-tert-butylbicyclo[4.1.0]heptan-7-amine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylbicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79330672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).