1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine

C9H17N — CID 163525148

IUPAC1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine
SMILESCC(N)C1C2C(C)C1C2C
InChIInChI=1S/C9H17N/c1-4-7-5(2)8(4)9(7)6(3)10/h4-9H,10H2,1-3H3
InChIKeyDOCOMCVQXZRCPU-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.48
Rot. Bonds1

About 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine

1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine (PubChem CID 163525148) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine
PubChem CID163525148
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine
SMILESCC(N)C1C2C(C)C1C2C
InChIInChI=1S/C9H17N/c1-4-7-5(2)8(4)9(7)6(3)10/h4-9H,10H2,1-3H3
InChIKeyDOCOMCVQXZRCPU-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine?
The IUPAC name of 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine (CID 163525148) is 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine?
The canonical SMILES for 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine is CC(N)C1C2C(C)C1C2C.
What is the InChIKey of 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine?
The InChIKey is DOCOMCVQXZRCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-5(2)8(4)9(7)6(3)10/h4-9H,10H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine?
1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine has a molecular weight of 139.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine is sourced from PubChem (CID 163525148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).