1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine

C13H21N3 — CID 62746942

IUPAC1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine
SMILESCC1CCCCC1CNCc1ccncn1
InChIInChI=1S/C13H21N3/c1-11-4-2-3-5-12(11)8-15-9-13-6-7-14-10-16-13/h6-7,10-12,15H,2-5,8-9H2,1H3
InChIKeyIGJLTZGUMUGVDG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine

1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine (PubChem CID 62746942) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine
PubChem CID62746942
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine
SMILESCC1CCCCC1CNCc1ccncn1
InChIInChI=1S/C13H21N3/c1-11-4-2-3-5-12(11)8-15-9-13-6-7-14-10-16-13/h6-7,10-12,15H,2-5,8-9H2,1H3
InChIKeyIGJLTZGUMUGVDG-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine (CID 62746942) is 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine is CC1CCCCC1CNCc1ccncn1.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine?
The InChIKey is IGJLTZGUMUGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-4-2-3-5-12(11)8-15-9-13-6-7-14-10-16-13/h6-7,10-12,15H,2-5,8-9H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine?
1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-(pyrimidin-4-ylmethyl)methanamine is sourced from PubChem (CID 62746942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).