3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine

C11H17N3 — CID 130820453

IUPAC3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)CC(NCc2ncccn2)C1
InChIInChI=1S/C11H17N3/c1-11(2)6-9(7-11)14-8-10-12-4-3-5-13-10/h3-5,9,14H,6-8H2,1-2H3
InChIKeyNIGSRJGEVOFPRG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.75
Rot. Bonds3

About 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine

3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine (PubChem CID 130820453) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine
PubChem CID130820453
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine
SMILESCC1(C)CC(NCc2ncccn2)C1
InChIInChI=1S/C11H17N3/c1-11(2)6-9(7-11)14-8-10-12-4-3-5-13-10/h3-5,9,14H,6-8H2,1-2H3
InChIKeyNIGSRJGEVOFPRG-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine (CID 130820453) is 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine is CC1(C)CC(NCc2ncccn2)C1.
What is the InChIKey of 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is NIGSRJGEVOFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2)6-9(7-11)14-8-10-12-4-3-5-13-10/h3-5,9,14H,6-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine?
3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 130820453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).