7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine

C16H23N — CID 79331599

IUPAC7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine
SMILESCC(C)(c1ccccc1)C1(N)C2CCCCC21
InChIInChI=1S/C16H23N/c1-15(2,12-8-4-3-5-9-12)16(17)13-10-6-7-11-14(13)16/h3-5,8-9,13-14H,6-7,10-11,17H2,1-2H3
InChIKeyKXBYHEZTEZVKOH-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.48
Rot. Bonds2

About 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine

7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 79331599) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine
PubChem CID79331599
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine
SMILESCC(C)(c1ccccc1)C1(N)C2CCCCC21
InChIInChI=1S/C16H23N/c1-15(2,12-8-4-3-5-9-12)16(17)13-10-6-7-11-14(13)16/h3-5,8-9,13-14H,6-7,10-11,17H2,1-2H3
InChIKeyKXBYHEZTEZVKOH-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-phenylpropan-2-yl)bicyclo[3.1.0]hexan-6-ol
CID 79331247
7-tert-butylbicyclo[4.1.0]heptan-7-amine
CID 79330672
2-[1-(2-phenylpropan-2-yl)cyclohexyl]propan-2-ylbenzene
CID 175137284
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
2-ethyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
CID 79333171
tert-butylbenzene;methanamine;7-thiabicyclo[4.1.0]heptane
CID 174813455
1-(2-phenylpropan-2-yl)-2-propylcyclopropan-1-amine
CID 79333314
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123653723
tert-butylbenzene;cyclohexylbenzene
CID 158089404
cyclohexanamine;diphenylmethanediamine
CID 175293358

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine (CID 79331599) is 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine is CC(C)(c1ccccc1)C1(N)C2CCCCC21.
What is the InChIKey of 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is KXBYHEZTEZVKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-15(2,12-8-4-3-5-9-12)16(17)13-10-6-7-11-14(13)16/h3-5,8-9,13-14H,6-7,10-11,17H2,1-2H3.
What are the key properties of 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine?
7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 229.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79331599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).