[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine

C14H20N2O — CID 62290951

IUPAC[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine
SMILESCC1CC=CCC1COc1ccc(CN)cn1
InChIInChI=1S/C14H20N2O/c1-11-4-2-3-5-13(11)10-17-14-7-6-12(8-15)9-16-14/h2-3,6-7,9,11,13H,4-5,8,10,15H2,1H3
InChIKeyPDYLFWMTYHSHFU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.52
Rot. Bonds4

About [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine

[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine (PubChem CID 62290951) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine
PubChem CID62290951
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine
SMILESCC1CC=CCC1COc1ccc(CN)cn1
InChIInChI=1S/C14H20N2O/c1-11-4-2-3-5-13(11)10-17-14-7-6-12(8-15)9-16-14/h2-3,6-7,9,11,13H,4-5,8,10,15H2,1H3
InChIKeyPDYLFWMTYHSHFU-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine (CID 62290951) is [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine is CC1CC=CCC1COc1ccc(CN)cn1.
What is the InChIKey of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is PDYLFWMTYHSHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-2-3-5-13(11)10-17-14-7-6-12(8-15)9-16-14/h2-3,6-7,9,11,13H,4-5,8,10,15H2,1H3.
What are the key properties of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine?
[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 62290951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).