cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride

C6H14ClNO — CID 135324600

IUPACcis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride
SMILESCCOC[C@H]1C[C@@H]1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-8-4-5-3-6(5)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyOACRTSSHTCROOE-IBTYICNHSA-N
MW151.64 g/mol
LogP0.79
Rot. Bonds3

About cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride

cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 135324600) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride
PubChem CID135324600
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Namecis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride
SMILESCCOC[C@H]1C[C@@H]1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-8-4-5-3-6(5)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyOACRTSSHTCROOE-IBTYICNHSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride (CID 135324600) is cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride is CCOC[C@H]1C[C@@H]1N.Cl.
What is the InChIKey of cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is OACRTSSHTCROOE-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-2-8-4-5-3-6(5)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride?
cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(ethoxymethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 135324600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).