spiro[2.4]heptan-7-ylmethanamine;hydrochloride

C8H16ClN — CID 126809391

IUPACspiro[2.4]heptan-7-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCC12CC2
InChIInChI=1S/C8H15N.ClH/c9-6-7-2-1-3-8(7)4-5-8;/h7H,1-6,9H2;1H
InChIKeyKEIAUWNDXFPVGH-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds1

About spiro[2.4]heptan-7-ylmethanamine;hydrochloride

spiro[2.4]heptan-7-ylmethanamine;hydrochloride (PubChem CID 126809391) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is spiro[2.4]heptan-7-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namespiro[2.4]heptan-7-ylmethanamine;hydrochloride
PubChem CID126809391
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Namespiro[2.4]heptan-7-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCC12CC2
InChIInChI=1S/C8H15N.ClH/c9-6-7-2-1-3-8(7)4-5-8;/h7H,1-6,9H2;1H
InChIKeyKEIAUWNDXFPVGH-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.4]heptan-7-ylmethanamine;hydrochloride?
The IUPAC name of spiro[2.4]heptan-7-ylmethanamine;hydrochloride (CID 126809391) is spiro[2.4]heptan-7-ylmethanamine;hydrochloride.
What is the SMILES notation for spiro[2.4]heptan-7-ylmethanamine;hydrochloride?
The canonical SMILES for spiro[2.4]heptan-7-ylmethanamine;hydrochloride is Cl.NCC1CCCC12CC2.
What is the InChIKey of spiro[2.4]heptan-7-ylmethanamine;hydrochloride?
The InChIKey is KEIAUWNDXFPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c9-6-7-2-1-3-8(7)4-5-8;/h7H,1-6,9H2;1H.
What are the key properties of spiro[2.4]heptan-7-ylmethanamine;hydrochloride?
spiro[2.4]heptan-7-ylmethanamine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.4]heptan-7-ylmethanamine;hydrochloride is sourced from PubChem (CID 126809391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).