[2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride

C9H18ClNO — CID 138987839

IUPAC[2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride
SMILESCNC1(CO)CC2(CCC2)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-10-9(7-11)5-8(6-9)3-2-4-8;/h10-11H,2-7H2,1H3;1H
InChIKeyPTGDWAAEQGVUST-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.32
Rot. Bonds2

About [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride

[2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride (PubChem CID 138987839) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride
PubChem CID138987839
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name[2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride
SMILESCNC1(CO)CC2(CCC2)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-10-9(7-11)5-8(6-9)3-2-4-8;/h10-11H,2-7H2,1H3;1H
InChIKeyPTGDWAAEQGVUST-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride?
The IUPAC name of [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride (CID 138987839) is [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride?
The canonical SMILES for [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride is CNC1(CO)CC2(CCC2)C1.Cl.
What is the InChIKey of [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride?
The InChIKey is PTGDWAAEQGVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-10-9(7-11)5-8(6-9)3-2-4-8;/h10-11H,2-7H2,1H3;1H.
What are the key properties of [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride?
[2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)spiro[3.3]heptan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 138987839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).