cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine

C13H18N2 — CID 106654753

IUPACcyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C1=CCCCC1
InChIInChI=1S/C13H18N2/c1-10-7-8-15-9-12(10)13(14)11-5-3-2-4-6-11/h5,7-9,13H,2-4,6,14H2,1H3
InChIKeyHLEIDXYFBKEZSM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.89
Rot. Bonds2

About cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine

cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine (PubChem CID 106654753) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
PubChem CID106654753
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Namecyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)C1=CCCCC1
InChIInChI=1S/C13H18N2/c1-10-7-8-15-9-12(10)13(14)11-5-3-2-4-6-11/h5,7-9,13H,2-4,6,14H2,1H3
InChIKeyHLEIDXYFBKEZSM-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(2-bromo-3-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 107982009
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine (CID 106654753) is cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is HLEIDXYFBKEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-7-8-15-9-12(10)13(14)11-5-3-2-4-6-11/h5,7-9,13H,2-4,6,14H2,1H3.
What are the key properties of cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine?
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 106654753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).