(2-cyclooctylpyrimidin-5-yl)methanamine

C13H21N3 — CID 80610612

IUPAC(2-cyclooctylpyrimidin-5-yl)methanamine
SMILESNCc1cnc(C2CCCCCCC2)nc1
InChIInChI=1S/C13H21N3/c14-8-11-9-15-13(16-10-11)12-6-4-2-1-3-5-7-12/h9-10,12H,1-8,14H2
InChIKeyAOLIKEMQMXGDRH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds2

About (2-cyclooctylpyrimidin-5-yl)methanamine

(2-cyclooctylpyrimidin-5-yl)methanamine (PubChem CID 80610612) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2-cyclooctylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(2-cyclooctylpyrimidin-5-yl)methanamine
PubChem CID80610612
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(2-cyclooctylpyrimidin-5-yl)methanamine
SMILESNCc1cnc(C2CCCCCCC2)nc1
InChIInChI=1S/C13H21N3/c14-8-11-9-15-13(16-10-11)12-6-4-2-1-3-5-7-12/h9-10,12H,1-8,14H2
InChIKeyAOLIKEMQMXGDRH-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-2-cyclohexylpyrimidine
CID 62755900
2-cyclohexyl-5-propylpyrimidine
CID 57193046
[2-(4-tert-butylcyclohexyl)pyrimidin-5-yl]methanamine
CID 65412819
5-butyl-2-cyclohexylpyrimidine
CID 154503798
2-(2-cyclopropylpyrimidin-5-yl)ethanamine
CID 62757903
5-(aminomethyl)-2-cyclohexylpyridin-3-amine
CID 105458264
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine
CID 105482707
[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
CID 65404660
[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
CID 65328893
2-cyclopentylpyrimidin-5-ol
CID 20542594
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989

Frequently Asked Questions

What is the IUPAC name of (2-cyclooctylpyrimidin-5-yl)methanamine?
The IUPAC name of (2-cyclooctylpyrimidin-5-yl)methanamine (CID 80610612) is (2-cyclooctylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (2-cyclooctylpyrimidin-5-yl)methanamine?
The canonical SMILES for (2-cyclooctylpyrimidin-5-yl)methanamine is NCc1cnc(C2CCCCCCC2)nc1.
What is the InChIKey of (2-cyclooctylpyrimidin-5-yl)methanamine?
The InChIKey is AOLIKEMQMXGDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-8-11-9-15-13(16-10-11)12-6-4-2-1-3-5-7-12/h9-10,12H,1-8,14H2.
What are the key properties of (2-cyclooctylpyrimidin-5-yl)methanamine?
(2-cyclooctylpyrimidin-5-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclooctylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 80610612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).