cyclohexen-1-yl(pyrimidin-5-yl)methanamine

C11H15N3 — CID 106657338

IUPACcyclohexen-1-yl(pyrimidin-5-yl)methanamine
SMILESNC(C1=CCCCC1)c1cncnc1
InChIInChI=1S/C11H15N3/c12-11(9-4-2-1-3-5-9)10-6-13-8-14-7-10/h4,6-8,11H,1-3,5,12H2
InChIKeyVOEIKZBPVOPFGY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.98
Rot. Bonds2

About cyclohexen-1-yl(pyrimidin-5-yl)methanamine

cyclohexen-1-yl(pyrimidin-5-yl)methanamine (PubChem CID 106657338) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is cyclohexen-1-yl(pyrimidin-5-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(pyrimidin-5-yl)methanamine
PubChem CID106657338
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Namecyclohexen-1-yl(pyrimidin-5-yl)methanamine
SMILESNC(C1=CCCCC1)c1cncnc1
InChIInChI=1S/C11H15N3/c12-11(9-4-2-1-3-5-9)10-6-13-8-14-7-10/h4,6-8,11H,1-3,5,12H2
InChIKeyVOEIKZBPVOPFGY-UHFFFAOYSA-N
XLogP1.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine
CID 82236067
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
di(pyrimidin-5-yl)methanamine
CID 102923336
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649312
cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
CID 82236016
cyclohexen-1-yl(thiophen-2-yl)methanamine
CID 62078485

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(pyrimidin-5-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(pyrimidin-5-yl)methanamine (CID 106657338) is cyclohexen-1-yl(pyrimidin-5-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(pyrimidin-5-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(pyrimidin-5-yl)methanamine is NC(C1=CCCCC1)c1cncnc1.
What is the InChIKey of cyclohexen-1-yl(pyrimidin-5-yl)methanamine?
The InChIKey is VOEIKZBPVOPFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-11(9-4-2-1-3-5-9)10-6-13-8-14-7-10/h4,6-8,11H,1-3,5,12H2.
What are the key properties of cyclohexen-1-yl(pyrimidin-5-yl)methanamine?
cyclohexen-1-yl(pyrimidin-5-yl)methanamine has a molecular weight of 189.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(pyrimidin-5-yl)methanamine is sourced from PubChem (CID 106657338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).