2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine

C13H23N — CID 79562076

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
SMILESNC(CC1CC2CCC1C2)C1CCC1
InChIInChI=1S/C13H23N/c14-13(10-2-1-3-10)8-12-7-9-4-5-11(12)6-9/h9-13H,1-8,14H2
InChIKeyVWFQXPWSCNKAEO-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine (PubChem CID 79562076) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
PubChem CID79562076
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
SMILESNC(CC1CC2CCC1C2)C1CCC1
InChIInChI=1S/C13H23N/c14-13(10-2-1-3-10)8-12-7-9-4-5-11(12)6-9/h9-13H,1-8,14H2
InChIKeyVWFQXPWSCNKAEO-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine
CID 79562690
3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
CID 103516898
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
[1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105254238
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine (CID 79562076) is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine is NC(CC1CC2CCC1C2)C1CCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine?
The InChIKey is VWFQXPWSCNKAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-13(10-2-1-3-10)8-12-7-9-4-5-11(12)6-9/h9-13H,1-8,14H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine is sourced from PubChem (CID 79562076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).