spiro[2.3]hexan-5-ylmethanamine;hydrochloride

C7H14ClN — CID 90020120

IUPACspiro[2.3]hexan-5-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CC2)C1
InChIInChI=1S/C7H13N.ClH/c8-5-6-3-7(4-6)1-2-7;/h6H,1-5,8H2;1H
InChIKeyLQNJOIZFCAMHNR-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.56
Rot. Bonds1

About spiro[2.3]hexan-5-ylmethanamine;hydrochloride

spiro[2.3]hexan-5-ylmethanamine;hydrochloride (PubChem CID 90020120) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is spiro[2.3]hexan-5-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namespiro[2.3]hexan-5-ylmethanamine;hydrochloride
PubChem CID90020120
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Namespiro[2.3]hexan-5-ylmethanamine;hydrochloride
SMILESCl.NCC1CC2(CC2)C1
InChIInChI=1S/C7H13N.ClH/c8-5-6-3-7(4-6)1-2-7;/h6H,1-5,8H2;1H
InChIKeyLQNJOIZFCAMHNR-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.56
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-5-ylmethanamine;hydrochloride?
The IUPAC name of spiro[2.3]hexan-5-ylmethanamine;hydrochloride (CID 90020120) is spiro[2.3]hexan-5-ylmethanamine;hydrochloride.
What is the SMILES notation for spiro[2.3]hexan-5-ylmethanamine;hydrochloride?
The canonical SMILES for spiro[2.3]hexan-5-ylmethanamine;hydrochloride is Cl.NCC1CC2(CC2)C1.
What is the InChIKey of spiro[2.3]hexan-5-ylmethanamine;hydrochloride?
The InChIKey is LQNJOIZFCAMHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c8-5-6-3-7(4-6)1-2-7;/h6H,1-5,8H2;1H.
What are the key properties of spiro[2.3]hexan-5-ylmethanamine;hydrochloride?
spiro[2.3]hexan-5-ylmethanamine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.56, 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-5-ylmethanamine;hydrochloride is sourced from PubChem (CID 90020120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).