[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride

C9H18ClNO — CID 126836806

IUPAC[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1C1CCOCC1
InChIInChI=1S/C9H17NO.ClH/c10-6-8-5-9(8)7-1-3-11-4-2-7;/h7-9H,1-6,10H2;1H/t8-,9-;/m0./s1
InChIKeyWGKIMEFXBBTEPE-OZZZDHQUSA-N
MW191.70 g/mol
LogP1.43
Rot. Bonds2

About [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride

[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride (PubChem CID 126836806) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride
PubChem CID126836806
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1C1CCOCC1
InChIInChI=1S/C9H17NO.ClH/c10-6-8-5-9(8)7-1-3-11-4-2-7;/h7-9H,1-6,10H2;1H/t8-,9-;/m0./s1
InChIKeyWGKIMEFXBBTEPE-OZZZDHQUSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride (CID 126836806) is [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@@H]1C[C@H]1C1CCOCC1.
What is the InChIKey of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is WGKIMEFXBBTEPE-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-6-8-5-9(8)7-1-3-11-4-2-7;/h7-9H,1-6,10H2;1H/t8-,9-;/m0./s1.
What are the key properties of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride?
[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 126836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).