trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride

C4H10ClN — CID 135324357

IUPACtrans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride
SMILESC[C@H]1C[C@@H]1N.Cl
InChIInChI=1S/C4H9N.ClH/c1-3-2-4(3)5;/h3-4H,2,5H2,1H3;1H/t3-,4-;/m0./s1
InChIKeyDGEKNIYQAIAEGO-MMALYQPHSA-N
MW107.58 g/mol
LogP0.78
Rot. Bonds

About trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride

trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride (PubChem CID 135324357) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride
PubChem CID135324357
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Nametrans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride
SMILESC[C@H]1C[C@@H]1N.Cl
InChIInChI=1S/C4H9N.ClH/c1-3-2-4(3)5;/h3-4H,2,5H2,1H3;1H/t3-,4-;/m0./s1
InChIKeyDGEKNIYQAIAEGO-MMALYQPHSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride (CID 135324357) is trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride is C[C@H]1C[C@@H]1N.Cl.
What is the InChIKey of trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is DGEKNIYQAIAEGO-MMALYQPHSA-N. The full InChI is InChI=1S/C4H9N.ClH/c1-3-2-4(3)5;/h3-4H,2,5H2,1H3;1H/t3-,4-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride?
trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 107.58 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 135324357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).