[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine

C8H15N — CID 55289732

IUPAC[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
SMILESC[C@H]1C=CCC[C@H]1CN
InChIInChI=1S/C8H15N/c1-7-4-2-3-5-8(7)6-9/h2,4,7-8H,3,5-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyUPDCBFHWIDJHDF-YUMQZZPRSA-N
MW125.21 g/mol
LogP1.55
Rot. Bonds1

About [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine

[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine (PubChem CID 55289732) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
PubChem CID55289732
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
SMILESC[C@H]1C=CCC[C@H]1CN
InChIInChI=1S/C8H15N/c1-7-4-2-3-5-8(7)6-9/h2,4,7-8H,3,5-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyUPDCBFHWIDJHDF-YUMQZZPRSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine?
The IUPAC name of [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine (CID 55289732) is [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine?
The canonical SMILES for [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine is C[C@H]1C=CCC[C@H]1CN.
What is the InChIKey of [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine?
The InChIKey is UPDCBFHWIDJHDF-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15N/c1-7-4-2-3-5-8(7)6-9/h2,4,7-8H,3,5-6,9H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine?
[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine has a molecular weight of 125.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 55289732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).