5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine

C13H25N — CID 146420615

IUPAC5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine
SMILESCCC(C)C(C)NC1CC2C(CC)C12
InChIInChI=1S/C13H25N/c1-5-8(3)9(4)14-12-7-11-10(6-2)13(11)12/h8-14H,5-7H2,1-4H3
InChIKeyXFXSFZSGFKQPFT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.06
Rot. Bonds5

About 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine

5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine (PubChem CID 146420615) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine
PubChem CID146420615
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine
SMILESCCC(C)C(C)NC1CC2C(CC)C12
InChIInChI=1S/C13H25N/c1-5-8(3)9(4)14-12-7-11-10(6-2)13(11)12/h8-14H,5-7H2,1-4H3
InChIKeyXFXSFZSGFKQPFT-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine?
The IUPAC name of 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine (CID 146420615) is 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine.
What is the SMILES notation for 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine?
The canonical SMILES for 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine is CCC(C)C(C)NC1CC2C(CC)C12.
What is the InChIKey of 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine?
The InChIKey is XFXSFZSGFKQPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8(3)9(4)14-12-7-11-10(6-2)13(11)12/h8-14H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine?
5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine is sourced from PubChem (CID 146420615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).