1-(methoxymethyl)cycloheptan-1-amine;hydrochloride

C9H20ClNO — CID 167737544

IUPAC1-(methoxymethyl)cycloheptan-1-amine;hydrochloride
SMILESCOCC1(N)CCCCCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-11-8-9(10)6-4-2-3-5-7-9;/h2-8,10H2,1H3;1H
InChIKeyVBWHSENNVFKLDE-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.11
Rot. Bonds2

About 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride

1-(methoxymethyl)cycloheptan-1-amine;hydrochloride (PubChem CID 167737544) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(methoxymethyl)cycloheptan-1-amine;hydrochloride
PubChem CID167737544
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-(methoxymethyl)cycloheptan-1-amine;hydrochloride
SMILESCOCC1(N)CCCCCC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-11-8-9(10)6-4-2-3-5-7-9;/h2-8,10H2,1H3;1H
InChIKeyVBWHSENNVFKLDE-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride?
The IUPAC name of 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride (CID 167737544) is 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride.
What is the SMILES notation for 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride?
The canonical SMILES for 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride is COCC1(N)CCCCCC1.Cl.
What is the InChIKey of 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride?
The InChIKey is VBWHSENNVFKLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-11-8-9(10)6-4-2-3-5-7-9;/h2-8,10H2,1H3;1H.
What are the key properties of 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride?
1-(methoxymethyl)cycloheptan-1-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cycloheptan-1-amine;hydrochloride is sourced from PubChem (CID 167737544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).