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

C9H17NO — CID 94558177

IUPAC[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@H]1C1CCOCC1
InChIInChI=1S/C9H17NO/c10-6-8-5-9(8)7-1-3-11-4-2-7/h7-9H,1-6,10H2/t8-,9-/m0/s1
InChIKeyAXSNFTMZHHKYGS-IUCAKERBSA-N
MW155.24 g/mol
LogP1.01
Rot. Bonds2

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

[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine (PubChem CID 94558177) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine
PubChem CID94558177
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@H]1C1CCOCC1
InChIInChI=1S/C9H17NO/c10-6-8-5-9(8)7-1-3-11-4-2-7/h7-9H,1-6,10H2/t8-,9-/m0/s1
InChIKeyAXSNFTMZHHKYGS-IUCAKERBSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine 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?
The IUPAC name of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine (CID 94558177) is [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine is NC[C@@H]1C[C@H]1C1CCOCC1.
What is the InChIKey of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine?
The InChIKey is AXSNFTMZHHKYGS-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c10-6-8-5-9(8)7-1-3-11-4-2-7/h7-9H,1-6,10H2/t8-,9-/m0/s1.
What are the key properties of [(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine?
[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.01, 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 is sourced from PubChem (CID 94558177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).