2-(azetidin-3-yl)-2-azaspiro[3.3]heptane

C9H16N2 — CID 79678770

IUPAC2-(azetidin-3-yl)-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CN(C1CNC1)C2
InChIInChI=1S/C9H16N2/c1-2-9(3-1)6-11(7-9)8-4-10-5-8/h8,10H,1-7H2
InChIKeyBNXGKHXVMTYNAA-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.44
Rot. Bonds1

About 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane

2-(azetidin-3-yl)-2-azaspiro[3.3]heptane (PubChem CID 79678770) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2-azaspiro[3.3]heptane
PubChem CID79678770
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(azetidin-3-yl)-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CN(C1CNC1)C2
InChIInChI=1S/C9H16N2/c1-2-9(3-1)6-11(7-9)8-4-10-5-8/h8,10H,1-7H2
InChIKeyBNXGKHXVMTYNAA-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)-2-azaspiro[3.3]heptan-6-amine
CID 118697091
2-Azaspiro[3.3]heptane-2-ethanamine
CID 55289039
2-Tert-butyl-2-azaspiro[3.3]heptan-6-amine
CID 68272018
(7R)-2-ethyl-2-azaspiro[3.3]heptan-7-amine
CID 68308270
2-Ethyl-2-azaspiro[3.3]heptan-6-amine
CID 68308416
2-Ethyl-2-azaspiro[3.3]heptan-7-amine
CID 68308891
2-Piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674
2-Pyrrolidin-3-yl-2-azaspiro[3.3]heptane
CID 79678709
3-Tert-butyl-2,6-diazaspiro[3.3]heptane
CID 89914157
2-(6-Methyl-2-azaspiro[3.3]heptan-2-yl)ethanamine
CID 90369810
2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane
CID 91666946
2-[(3R)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane
CID 91666948

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane (CID 79678770) is 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane is C1CC2(C1)CN(C1CNC1)C2.
What is the InChIKey of 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane?
The InChIKey is BNXGKHXVMTYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9(3-1)6-11(7-9)8-4-10-5-8/h8,10H,1-7H2.
What are the key properties of 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane?
2-(azetidin-3-yl)-2-azaspiro[3.3]heptane has a molecular weight of 152.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 79678770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).