3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine

C9H18N2 — CID 47003628

IUPAC3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC(C)N1CC2CC(C1)C2N
InChIInChI=1S/C9H18N2/c1-6(2)11-4-7-3-8(5-11)9(7)10/h6-9H,3-5,10H2,1-2H3
InChIKeyOGAACZCNAIYNIN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.67
Rot. Bonds1

About 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine

3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 47003628) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID47003628
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC(C)N1CC2CC(C1)C2N
InChIInChI=1S/C9H18N2/c1-6(2)11-4-7-3-8(5-11)9(7)10/h6-9H,3-5,10H2,1-2H3
InChIKeyOGAACZCNAIYNIN-UHFFFAOYSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine (CID 47003628) is 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine is CC(C)N1CC2CC(C1)C2N.
What is the InChIKey of 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is OGAACZCNAIYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)11-4-7-3-8(5-11)9(7)10/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 47003628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).