1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine

C10H19N — CID 138747101

IUPAC1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine
SMILESCC(C)C12CC(C(C)N)(C1)C2
InChIInChI=1S/C10H19N/c1-7(2)9-4-10(5-9,6-9)8(3)11/h7-8H,4-6,11H2,1-3H3
InChIKeyAAZJNIWYTAFLMJ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.16
Rot. Bonds2

About 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine

1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine (PubChem CID 138747101) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine
PubChem CID138747101
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine
SMILESCC(C)C12CC(C(C)N)(C1)C2
InChIInChI=1S/C10H19N/c1-7(2)9-4-10(5-9,6-9)8(3)11/h7-8H,4-6,11H2,1-3H3
InChIKeyAAZJNIWYTAFLMJ-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine?
The IUPAC name of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine (CID 138747101) is 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine.
What is the SMILES notation for 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine?
The canonical SMILES for 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine is CC(C)C12CC(C(C)N)(C1)C2.
What is the InChIKey of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine?
The InChIKey is AAZJNIWYTAFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)9-4-10(5-9,6-9)8(3)11/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine?
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine is sourced from PubChem (CID 138747101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).