(S)-cyclopropyl(methoxy)methanamine

C5H11NO — CID 163414817

IUPAC(S)-cyclopropyl(methoxy)methanamine
SMILESCO[C@H](N)C1CC1
InChIInChI=1S/C5H11NO/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2,1H3/t5-/m0/s1
InChIKeyADMNPXHHOLUBJF-YFKPBYRVSA-N
MW101.15 g/mol
LogP0.33
Rot. Bonds2

About (S)-cyclopropyl(methoxy)methanamine

(S)-cyclopropyl(methoxy)methanamine (PubChem CID 163414817) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (S)-cyclopropyl(methoxy)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl(methoxy)methanamine
PubChem CID163414817
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(S)-cyclopropyl(methoxy)methanamine
SMILESCO[C@H](N)C1CC1
InChIInChI=1S/C5H11NO/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2,1H3/t5-/m0/s1
InChIKeyADMNPXHHOLUBJF-YFKPBYRVSA-N
XLogP0.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl(methoxy)methanamine?
The IUPAC name of (S)-cyclopropyl(methoxy)methanamine (CID 163414817) is (S)-cyclopropyl(methoxy)methanamine.
What is the SMILES notation for (S)-cyclopropyl(methoxy)methanamine?
The canonical SMILES for (S)-cyclopropyl(methoxy)methanamine is CO[C@H](N)C1CC1.
What is the InChIKey of (S)-cyclopropyl(methoxy)methanamine?
The InChIKey is ADMNPXHHOLUBJF-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2,1H3/t5-/m0/s1.
What are the key properties of (S)-cyclopropyl(methoxy)methanamine?
(S)-cyclopropyl(methoxy)methanamine has a molecular weight of 101.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl(methoxy)methanamine is sourced from PubChem (CID 163414817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).