1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine

C15H25N3 — CID 131927079

IUPAC1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
SMILESCC(C)c1ncc(CN(C)CC2CCCC2)cn1
InChIInChI=1S/C15H25N3/c1-12(2)15-16-8-14(9-17-15)11-18(3)10-13-6-4-5-7-13/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyFYOINHLFWMZBIZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.22
Rot. Bonds5

About 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine

1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 131927079) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID131927079
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
SMILESCC(C)c1ncc(CN(C)CC2CCCC2)cn1
InChIInChI=1S/C15H25N3/c1-12(2)15-16-8-14(9-17-15)11-18(3)10-13-6-4-5-7-13/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyFYOINHLFWMZBIZ-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine (CID 131927079) is 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine is CC(C)c1ncc(CN(C)CC2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is FYOINHLFWMZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)15-16-8-14(9-17-15)11-18(3)10-13-6-4-5-7-13/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine?
1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 131927079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).