2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine

C9H18N2 — CID 129231151

IUPAC2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCC(C)N1CC2CC(N)C1C2
InChIInChI=1S/C9H18N2/c1-6(2)11-5-7-3-8(10)9(11)4-7/h6-9H,3-5,10H2,1-2H3
InChIKeyRLFALCGTWWLNKY-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine

2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine (PubChem CID 129231151) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
PubChem CID129231151
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCC(C)N1CC2CC(N)C1C2
InChIInChI=1S/C9H18N2/c1-6(2)11-5-7-3-8(10)9(11)4-7/h6-9H,3-5,10H2,1-2H3
InChIKeyRLFALCGTWWLNKY-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine (CID 129231151) is 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine is CC(C)N1CC2CC(N)C1C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
The InChIKey is RLFALCGTWWLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)11-5-7-3-8(10)9(11)4-7/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine is sourced from PubChem (CID 129231151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).