spiro[2.3]hexan-2-ylmethanamine

C7H13N — CID 81251332

IUPACspiro[2.3]hexan-2-ylmethanamine
SMILESNCC1CC12CCC2
InChIInChI=1S/C7H13N/c8-5-6-4-7(6)2-1-3-7/h6H,1-5,8H2
InChIKeyAXGWNLXMFBOMDZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.14
Rot. Bonds1

About spiro[2.3]hexan-2-ylmethanamine

spiro[2.3]hexan-2-ylmethanamine (PubChem CID 81251332) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is spiro[2.3]hexan-2-ylmethanamine.

Molecular Properties

Compound Namespiro[2.3]hexan-2-ylmethanamine
PubChem CID81251332
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namespiro[2.3]hexan-2-ylmethanamine
SMILESNCC1CC12CCC2
InChIInChI=1S/C7H13N/c8-5-6-4-7(6)2-1-3-7/h6H,1-5,8H2
InChIKeyAXGWNLXMFBOMDZ-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.3]hexan-2-ylmethanamine?
The IUPAC name of spiro[2.3]hexan-2-ylmethanamine (CID 81251332) is spiro[2.3]hexan-2-ylmethanamine.
What is the SMILES notation for spiro[2.3]hexan-2-ylmethanamine?
The canonical SMILES for spiro[2.3]hexan-2-ylmethanamine is NCC1CC12CCC2.
What is the InChIKey of spiro[2.3]hexan-2-ylmethanamine?
The InChIKey is AXGWNLXMFBOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c8-5-6-4-7(6)2-1-3-7/h6H,1-5,8H2.
What are the key properties of spiro[2.3]hexan-2-ylmethanamine?
spiro[2.3]hexan-2-ylmethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.3]hexan-2-ylmethanamine is sourced from PubChem (CID 81251332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).